-
1
-
-
84964589206
-
Interferenz von röntgenstrahlen und wärmebewegung (in german)
-
Debay P. Interferenz von Röntgenstrahlen und Wärmebewegung (in German). Ann Phys. 1913;348: 49-92.
-
(1913)
Ann Phys
, vol.348
, pp. 49-92
-
-
Debay, P.1
-
2
-
-
0001327340
-
Thermal-motion analysis using bragg diffraction data
-
Ibers JA, Hamilton WC, editor., Birmingham: Kynoch Press;
-
Johnson CK, Levy HA. Thermal-motion analysis using Bragg diffraction data. In: Ibers JA, Hamilton WC, editor. International tables for X-ray crystallography,Vol. IV. Birmingham: Kynoch Press; 1974. p. 311-336.
-
(1974)
International Tables for X-ray Crystallography
, vol.4
, pp. 311-336
-
-
Johnson, C.K.1
Levy, H.A.2
-
4
-
-
0001678764
-
Atomic displacement parameter nomenclature report of a subcommittee on atomic displacement parameter nomenclature
-
Trueblood KN, Bürgi H-B, Burzlaff H, Dunitz JD, Grammaccioli CM, Schulz HH, Shmueli U, Abrahams SC. Atomic displacement parameter nomenclature. Report of a subcommittee on atomic displacement parameter nomenclature. Acta Cryst. 1996;A52: 770-781.
-
(1996)
Acta Cryst
, vol.A52
, pp. 770-781
-
-
Trueblood, K.N.1
Bürgi, H.-B.2
Burzlaff, H.3
Dunitz, J.D.4
Grammaccioli, C.M.5
Schulz, H.H.6
Shmueli, U.7
Abrahams, S.C.8
-
5
-
-
0011507785
-
The structure factor
-
Shmueli U, editor., Vol. B. Dordrecht: Kluwer Academic;
-
Coppens P. The structure factor. In: Shmueli U, editor. International tables for crystallography, Vol. B. Dordrecht: Kluwer Academic; 2006. p. 10-24.
-
(2006)
International Tables for Crystallography
, pp. 10-24
-
-
Coppens, P.1
-
6
-
-
85005537029
-
Thermal motion and conformational disorder in protein crystal structures: Comparison of multi-conformer and time-averaging models
-
Burling FT, Brünger AT. Thermal motion and conformational disorder in protein crystal structures: Comparison of multi-conformer and time-averaging models. Isr J Chem. 1994;34: 165-175.
-
(1994)
Isr J Chem
, vol.34
, pp. 165-175
-
-
Burling, F.T.1
Brünger, A.T.2
-
7
-
-
0011181452
-
Time-averaging crystallographic refinement - Possibilities and limitations using alpha-cyclodextrin as a test system
-
Schiffer CA, Gros P, Vangunsteren WF. Time-averaging crystallographic refinement - possibilities and limitations using alpha-cyclodextrin as a test system. Acta Cryst. 1995;D51: 85-92.
-
(1995)
Acta Cryst
, vol.D51
, pp. 85-92
-
-
Schiffer, C.A.1
Gros, P.2
Vangunsteren, W.F.3
-
8
-
-
34548387498
-
Ensemble refinement of protein crystal structures: Validation and application
-
Levin EJ, Kondrashov DA, Wesenberg GE, Phillips GN. Ensemble refinement of protein crystal structures: validation and application. Structure. 2007;15: 1040-1052.
-
(2007)
Structure
, vol.15
, pp. 1040-1052
-
-
Levin, E.J.1
Kondrashov, D.A.2
Wesenberg, G.E.3
Phillips, G.N.4
-
9
-
-
84908221627
-
Modelling dynamics in protein crystal structures by ensemble refinement
-
Burnley BT, Afonine PV, Gros P. Modelling dynamics in protein crystal structures by ensemble refinement. eLife. 2012;1:e00311.
-
(2012)
ELife
, vol.1
-
-
Burnley, B.T.1
Afonine, P.V.2
Gros, P.3
-
10
-
-
84943878373
-
Non-rigid-body thermal-motion analysis
-
Dunitz JD, White DNJ. Non-rigid-body thermal-motion analysis. Acta Cryst. 1973;A29: 93-94.
-
(1973)
Acta Cryst
, vol.A29
, pp. 93-94
-
-
Dunitz, J.D.1
White, D.N.J.2
-
11
-
-
24244468493
-
Use of constraints on thermal motion in structure refinement of molecules with librating side groups
-
Prince E, Finger LM. Use of constraints on thermal motion in structure refinement of molecules with librating side groups. Acta Cryst. 1972;B29: 179-183.
-
(1972)
Acta Cryst
, vol.B29
, pp. 179-183
-
-
Prince, E.1
Finger, L.M.2
-
13
-
-
0035182073
-
Use of tls parameters to model anisotropic displacements in macromolecular refinement
-
Winn MD, Isupov MN, Murshudov GN. Use of TLS parameters to model anisotropic displacements in macromolecular refinement. Acta Cryst. 2001;D57: 122-133.
-
(2001)
Acta Cryst
, vol.D57
, pp. 122-133
-
-
Winn, M.D.1
Isupov, M.N.2
Murshudov, G.N.3
-
14
-
-
0032988302
-
-
Usón I, Pohl E, Schneider TR, Dauter Z, Schmidt A, Fritz HJ, Sheldrick GM. Acta Cryst. 1999;D55: 1158-1167.
-
(1999)
Acta Cryst
, vol.D55
, pp. 1158-1167
-
-
Usón, I.1
Pohl, E.2
Schneider, T.R.3
Dauter, Z.4
Schmidt, A.5
Fritz, H.J.6
Sheldrick, G.M.7
-
16
-
-
0022293585
-
Description of overall anisotropy in diffraction from macromolecular crystals
-
Stuart DI, Phillips DC. Description of overall anisotropy in diffraction from macromolecular crystals. Methods Enzymol. 1985;115: 117-142.
-
(1985)
Methods Enzymol
, vol.115
, pp. 117-142
-
-
Stuart, D.I.1
Phillips, D.C.2
-
17
-
-
0000717990
-
The analysis of the anisotropic thermal motion of molecules in crystals
-
Cruickshank DWJ. The analysis of the anisotropic thermal motion of molecules in crystals. Acta Cryst. 1956;9: 754-756.
-
(1956)
Acta Cryst
, vol.9
, pp. 754-756
-
-
Cruickshank, D.W.J.1
-
19
-
-
0001841380
-
On the rigid-body motion of molecules in crystals
-
Schomaker V, Trueblood KN. On the rigid-body motion of molecules in crystals. Acta Cryst. 1968;B24: 63-76.
-
(1968)
Acta Cryst
, vol.B24
, pp. 63-76
-
-
Schomaker, V.1
Trueblood, K.N.2
-
20
-
-
3843109091
-
On the least-squares analysis of the rigid body vibrations of non-centrosymmetrical molecules
-
Pawley GS. On the least-squares analysis of the rigid body vibrations of non-centrosymmetrical molecules. Acta Cryst. 1963;16: 1204-1208.
-
(1963)
Acta Cryst
, vol.16
, pp. 1204-1208
-
-
Pawley, G.S.1
-
21
-
-
0007633098
-
Least-squares structure refinement assuming molecular rigidity
-
Pawley GS. Least-squares structure refinement assuming molecular rigidity. Acta Cryst. 1964;17: 457-458.
-
(1964)
Acta Cryst
, vol.17
, pp. 457-458
-
-
Pawley, G.S.1
-
22
-
-
84885596783
-
A molecular viewer for the analysis of tls rigid-body motion in macromolecules
-
Painter J, Merritt EA. A molecular viewer for the analysis of TLS rigid-body motion in macromolecules. Acta Cryst. 2005;D62: 439-450.
-
(2005)
Acta Cryst
, vol.D62
, pp. 439-450
-
-
Painter, J.1
Merritt, E.A.2
-
23
-
-
0001776290
-
The effect of thermal motion on interatomic distances and angles
-
Ahmed FR, editor., Copenhagen: Munksgaard;
-
Johnson CK. The effect of thermal motion on interatomic distances and angles. In: Ahmed FR, editor. Crystallographic computing. Copenhagen: Munksgaard; 1970. p. 220-226.
-
(1970)
Crystallographic Computing
, pp. 220-226
-
-
Johnson, C.K.1
-
24
-
-
0014818892
-
Generalized treatments for thermal motion
-
Willis BTM, editor., London: Oxford University Press;
-
Johnson CK. Generalized treatments for thermal motion. In: Willis BTM, editor. Thermal neutron diffraction. London: Oxford University Press; 1970. p. 132-136.
-
(1970)
Thermal Neutron Diffraction
, pp. 132-136
-
-
Johnson, C.K.1
-
25
-
-
4244127751
-
A lattice-dynamics interpretation of molecular rigid-body vibration tensors
-
Scheringer C.ALattice-dynamics interpretation of molecular rigid-body vibration tensors.Acta Cryst. 1973;A29: 554-570.
-
(1973)
Acta Cryst
, vol.A29
, pp. 554-570
-
-
Scheringer, C.1
-
27
-
-
84944815380
-
Segmented anisotropic refinement of bovine ribonuclease a by the application of the rigid-body tls model
-
Howlin B, Moss DS, Harris GW. Segmented anisotropic refinement of bovine ribonuclease A by the application of the rigid-body TLS model. Acta Cryst. 1989;A45: 851-861.
-
(1989)
Acta Cryst
, vol.A45
, pp. 851-861
-
-
Howlin, B.1
Moss, D.S.2
Harris, G.W.3
-
28
-
-
84885668560
-
Probabilistic approach and geometric interpretation of the model and consequences
-
Tickle I, Moss DS. Probabilistic approach and geometric interpretation of the model and consequences. Notes from IUCr Cryst. Computing School, 1999. Available from: http://public-1.cryst. bbk.ac.uk/~tickle/iucr99/iucrcs99.htm
-
(1999)
Notes from IUCr Cryst. Computing School
-
-
Tickle, I.1
Moss, D.S.2
-
29
-
-
84885584223
-
Optimal description of a protein structure in terms of multiple groups undergoing tls motion
-
Painter J, Merritt EA. Optimal description of a protein structure in terms of multiple groups undergoing TLS motion. Acta Cryst. 2006;D61: 465-471.
-
(2006)
Acta Cryst
, vol.D61
, pp. 465-471
-
-
Painter, J.1
Merritt, E.A.2
-
30
-
-
77955458794
-
Validation of crystallographic models containing tls or other descriptors of anisotropy
-
Zucker F, Champ PC, Merritt EA. Validation of crystallographic models containing TLS or other descriptors of anisotropy. Acta Cryst. 2010;D66: 889-900.
-
(2010)
Acta Cryst
, vol.D66
, pp. 889-900
-
-
Zucker, F.1
Champ, P.C.2
Merritt, E.A.3
-
32
-
-
0000380716
-
The determination of the anisotropic thermal motion of atoms in crystals
-
Cruickshank DWJ. The determination of the anisotropic thermal motion of atoms in crystals. Acta Cryst. 1956;9: 747-753.
-
(1956)
Acta Cryst
, vol.9
, pp. 747-753
-
-
Dwj, C.1
-
33
-
-
84885679193
-
Temperature factors for large librations of molecules expression in a general crystal metric and for any site symmetry
-
Scheringer C. Temperature factors for large librations of molecules. Expression in a general crystal metric and for any site symmetry. Acta Cryst. 1978;A34: 702-709.
-
(1978)
Acta Cryst
, vol.A34
, pp. 702-709
-
-
Scheringer, C.1
-
34
-
-
84885587566
-
Dynamic density and structure factors for rigid molecules with large librations
-
Scheringer C. Dynamic density and structure factors for rigid molecules with large librations. Acta Cryst. 1978;A34: 905-908.
-
(1978)
Acta Cryst
, vol.A34
, pp. 905-908
-
-
Scheringer, C.1
-
36
-
-
33845278689
-
Interpretation of atomic displacement parameters from diffraction studies of crystals
-
Dunitz JD, Schomaker V, Trueblood KN. Interpretation of atomic displacement parameters from diffraction studies of crystals. J Phys Chem. 1988;92: 856-867.
-
(1988)
J Phys Chem
, vol.92
, pp. 856-867
-
-
Dunitz, J.D.1
Schomaker, V.2
Trueblood, K.N.3
-
37
-
-
84855471486
-
Interpretation of atomic displacement parameters: Intramolecular translational oscillation and rigid-body motion
-
Bürgi HB. Interpretation of atomic displacement parameters: intramolecular translational oscillation and rigid-body motion. Acta Cryst. 1989;B45: 383-390.
-
(1989)
Acta Cryst
, vol.B45
, pp. 383-390
-
-
Bürgi, H.B.1
-
38
-
-
70349775824
-
On the relationship between diffraction patterns and motion in macromolecular crystals
-
Moore PB. On the relationship between diffraction patterns and motion in macromolecular crystals. Structure. 2009;17: 1307-1315.
-
(2009)
Structure
, vol.17
, pp. 1307-1315
-
-
Moore, P.B.1
-
39
-
-
0000717990
-
Errors in bond lengths due to rotational oscillations of molecules
-
Cruickshank DWJ. Errors in bond lengths due to rotational oscillations of molecules. Acta Cryst. 1956;9: 757-758.
-
(1956)
Acta Cryst
, vol.9
, pp. 757-758
-
-
Cruickshank, D.W.J.1
-
41
-
-
79959555932
-
Using molecular-dynamics simulations to understand and improve the treatment of anharmonic vibrations i study of positional parameters
-
Reilly AM, Morrison CA, Rankin DWH. Using molecular-dynamics simulations to understand and improve the treatment of anharmonic vibrations. I. Study of positional parameters. Acta Cryst. 2011;A67: 336-345.
-
(2011)
Acta Cryst
, vol.A67
, pp. 336-345
-
-
Reilly, A.M.1
Morrison, C.A.2
Dwh, R.3
-
42
-
-
79959569487
-
Using molecular-dynamics simulations to understand and improve the treatment of anharmonic vibrations ii developing and accessing new debye-walles factors
-
Reilly AM, Morrison CA, Rankin DWH, McLean KR. Using molecular-dynamics simulations to understand and improve the treatment of anharmonic vibrations. II. Developing and accessing new Debye-Walles factors. Acta Cryst. 2011;A67: 346-356.
-
(2011)
Acta Cryst
, vol.A67
, pp. 346-356
-
-
Reilly, A.M.1
Morrison, C.A.2
Rankin, D.W.H.3
McLean, K.R.4
-
43
-
-
0000204665
-
The variation of apparent bond lengths with temperature in molecular crystals
-
Cruickshank DWJ. The variation of apparent bond lengths with temperature in molecular crystals. Acta Cryst. 1961;14: 896-897.
-
(1961)
Acta Cryst
, vol.14
, pp. 896-897
-
-
Cruickshank, D.W.J.1
-
44
-
-
0001168039
-
The effect of thermal motion on the estimation of bond lengths from diffraction measurements
-
BusingWR, Levy HA. The effect of thermal motion on the estimation of bond lengths from diffraction measurements. Acta Cryst. 1964;17: 142-146.
-
(1964)
Acta Cryst
, vol.17
, pp. 142-146
-
-
Busing, W.R.1
Levy, H.A.2
-
45
-
-
0346036778
-
Alattice-dynamical treatment of the thermal-motion bond-length correction
-
Scheringer C.Alattice-dynamical treatment of the thermal-motion bond-length correction.Acta Cryst. 1972;A29: 616-619.
-
(1972)
Acta Cryst
, vol.A29
, pp. 616-619
-
-
Scheringer, C.1
-
46
-
-
84885638958
-
A lattice-dynamical bond-length correction for diatomic and triatomic molecules
-
Scheringer C.A lattice-dynamical bond-length correction for diatomic and triatomic molecules. Acta Cryst. 1972;A29: 619-628.
-
(1972)
Acta Cryst
, vol.A29
, pp. 619-628
-
-
Scheringer, C.1
-
47
-
-
84885625085
-
The thermal-motion correction for bond angles
-
Scheringer C. The thermal-motion correction for bond angles. Acta Cryst. 1978;A34: 428-431.
-
(1978)
Acta Cryst
, vol.A34
, pp. 428-431
-
-
Scheringer, C.1
-
48
-
-
43749117719
-
Error estimates on bond-length and angle corrections from tls analysis
-
Haestier J, Sadki M, Thompson A, Watkin D. Error estimates on bond-length and angle corrections from TLS analysis. J Appl Cryst. 2008;41: 531-536.
-
(2008)
J Appl Cryst
, vol.41
, pp. 531-536
-
-
Haestier, J.1
Sadki, M.2
Thompson, A.3
Watkin, D.4
-
49
-
-
0001334491
-
Restrained structure-factor least-squares refinement of protein structures using a vector-processing computer
-
Haneef I, Moss DS, Stanford MJ, Borkakoti N. Restrained structure-factor least-squares refinement of protein structures using a vector-processing computer. Acta Cryst. 1985;A41: 426-433.
-
(1985)
Acta Cryst
, vol.A41
, pp. 426-433
-
-
Haneef, I.1
Moss, D.S.2
Stanford, M.J.3
Borkakoti, N.4
-
50
-
-
84885613127
-
The rigid-body vibrations of molecules in crystals
-
Burns DM, Ferrier WG, McMullan JT. The rigid-body vibrations of molecules in crystals. Acta Cryst. 1967;22: 623-629.
-
(1967)
Acta Cryst
, vol.22
, pp. 623-629
-
-
Burns, D.M.1
Ferrier, W.G.2
McMullan, J.T.3
-
51
-
-
0000204665
-
Coordinate errors due to rotational oscillations of molecules
-
Becka LN, Cruickshank DWJ. Coordinate errors due to rotational oscillations of molecules. Acta Cryst. 1961;14: 1092-1092.
-
(1961)
Acta Cryst
, vol.14
, pp. 1092-1092
-
-
Becka, L.N.1
Cruickshank, D.W.J.2
-
52
-
-
0343228695
-
The crystal and molecular structure of the trans-syn photodimer of methyl orotate
-
Birnbaum GI. The crystal and molecular structure of the trans-syn photodimer of methyl orotate. Acta Cryst. 1972;B28: 1248-1254.
-
(1972)
Acta Cryst
, vol.B28
, pp. 1248-1254
-
-
Birnbaum, G.I.1
-
53
-
-
0027039866
-
Variation of bond lengths and volumes of silicate tetrahedra with temperature
-
Downs RT, Gibbs GV, Barletmehs KL, Boisen MB Jr. Variation of bond lengths and volumes of silicate tetrahedra with temperature. Am Mineral. 1992;77: 751-757.
-
(1992)
Am Mineral
, vol.77
, pp. 751-757
-
-
Downs, R.T.1
Gibbs, G.V.2
Barletmehs, K.L.3
Boisen Jr., M.B.4
-
54
-
-
84944642571
-
Distribution of observed c-h bond lengths in neutron crystal structures and temperature dependence of the mean values
-
Steiner T, Seanger W. Distribution of observed C-H bond lengths in neutron crystal structures and temperature dependence of the mean values. Acta Cryst. 1993;A49: 379-384.
-
(1993)
Acta Cryst
, vol.A49
, pp. 379-384
-
-
Steiner, T.1
Seanger, W.2
-
55
-
-
20644461234
-
A curiously short carbon-carbon double bond?
-
Dunitz JD. A curiously short carbon-carbon double bond? Chem Commun. 1999;24: 2574-2574.
-
(1999)
Chem Commun
, vol.24
, pp. 2574-2574
-
-
Dunitz, J.D.1
-
56
-
-
0000963687
-
Tcl/tk based programs ii convrot: Program to recalculate different rotation descriptions
-
Urzhumtseva LM, Urzhumtsev AG. Tcl/Tk based programs. II. CONVROT: program to recalculate different rotation descriptions. J Appl Cryst. 1997;30: 402-410.
-
(1997)
J Appl Cryst
, vol.30
, pp. 402-410
-
-
Urzhumtseva, L.M.1
Urzhumtsev, A.G.2
-
57
-
-
84978555039
-
Rigid-body molecular motion in crystals. The centre of libration
-
Pawley GS. Rigid-body molecular motion in crystals. The centre of libration. Acta Cryst. 1970;A26: 289-292.
-
(1970)
Acta Cryst
, vol.A26
, pp. 289-292
-
-
Pawley, G.S.1
-
58
-
-
0006674894
-
Constrained thermal motion refinement for a rigid molecule with librating side groups
-
Sygusch J. Constrained thermal motion refinement for a rigid molecule with librating side groups. Acta Cryst. 1976;B32: 3295-3298.
-
(1976)
Acta Cryst
, vol.B32
, pp. 3295-3298
-
-
Sygusch, J.1
-
59
-
-
0001696252
-
Correlation of internal torsional motion with overall molecular motion in crystals
-
Schomaker V, Trueblood KN. Correlation of internal torsional motion with overall molecular motion in crystals. Acta Cryst. 1998;B54: 507-514.
-
(1998)
Acta Cryst
, vol.B54
, pp. 507-514
-
-
Schomaker, V.1
Trueblood, K.N.2
-
60
-
-
0001682586
-
Coupling between the translational and rotational brownian motions of rigid particles of arbitrary shape
-
Brenner H. Coupling between the translational and rotational Brownian motions of rigid particles of arbitrary shape. J Colloid Interface Chem. 1967;23: 407-435.
-
(1967)
J Colloid Interface Chem
, vol.23
, pp. 407-435
-
-
Brenner, H.1
-
61
-
-
55549138434
-
The structure of overcrowded aromatic compounds vi The crystal structure of benzo[c]phenanthrene and of 1,12-dimethylbenzo[c]phenanthrene
-
Hirshfeld FL, Sandler S, Schmidt GMJ. The structure of overcrowded aromatic compounds. VI. The crystal structure of benzo[c]phenanthrene and of 1,12-dimethylbenzo[c]phenanthrene. J Chem Soc. 1963;2108-2125.
-
(1963)
J Chem Soc
, pp. 2108-2125
-
-
Hirshfeld, F.L.1
Sandler, S.2
Schmidt, G.M.J.3
-
62
-
-
84944640969
-
Crystal structure refinement using a number of orthogonal axial systems
-
Rae AD. Crystal structure refinement using a number of orthogonal axial systems. Acta Cryst. 1975;A31: 560-570.
-
(1975)
Acta Cryst
, vol.A31
, pp. 560-570
-
-
Rae, A.D.1
-
63
-
-
0000234616
-
Rigid-body motion in crystals - The application of constraints on the tls model
-
Rae AD. Rigid-body motion in crystals - the application of constraints on the TLS model. Acta Cryst. 1975;A31: 570-574.
-
(1975)
Acta Cryst
, vol.A31
, pp. 570-574
-
-
Rae, A.D.1
-
64
-
-
0018800867
-
Dynamic information from protein crystallography an analysis of temperature factors from refinement of the hen egg-white lysozyme structure
-
Sternberg MJE, Grace DEP, Phillips DC. Dynamic information from protein crystallography. An analysis of temperature factors from refinement of the hen egg-white lysozyme structure. J Mol Biol. 1979;130: 231-253.
-
(1979)
J Mol Biol
, vol.130
, pp. 231-253
-
-
Sternberg, M.J.E.1
Grace, D.E.P.2
Phillips, D.C.3
-
65
-
-
33645158291
-
TLSMD web server for the generation of multi-group tls models
-
Painter J, Merritt EA.TLSMD web server for the generation of multi-group TLS models. J Appl Cryst. 2006;39: 109-111.
-
(2006)
J Appl Cryst
, vol.39
, pp. 109-111
-
-
Painter, J.1
Merritt, E.A.2
-
66
-
-
0033386039
-
Comparing anisotropic displacement parameters in protein structures
-
Merritt EA. Comparing anisotropic displacement parameters in protein structures. Acta Cryst. 1999;D55: 1997-2004.
-
(1999)
Acta Cryst
, vol.D55
, pp. 1997-2004
-
-
Merritt, E.A.1
-
68
-
-
0000568418
-
RESTRAIN: Restrained structure-factor least-squares refinement program for macromolecules
-
Driessen H, Haneef MIJ, Harris GW, Howlin B, Khan G, Moss DS. RESTRAIN: restrained structure-factor least-squares refinement program for macromolecules. J Appl Cryst. 1989;22: 510-516.
-
(1989)
J Appl Cryst
, vol.22
, pp. 510-516
-
-
Driessen, H.1
Haneef, M.I.J.2
Harris, G.W.3
Howlin, B.4
Khan, G.5
Moss, D.S.6
-
69
-
-
0027647435
-
TLSANL: Tls parameter-analysis program for segmented anisotropic refinement of macromolecular structures
-
Howlin B, Butler SA, Moss DS, Harris GW, Driessen HPC. TLSANL: TLS parameter-analysis program for segmented anisotropic refinement of macromolecular structures. J Appl Cryst. 1993;26: 622-626.
-
(1993)
J Appl Cryst
, vol.26
, pp. 622-626
-
-
Howlin, B.1
Butler, S.A.2
Moss, D.S.3
Harris, G.W.4
Driessen, H.P.C.5
-
70
-
-
84860273177
-
Towards automated crystallographic structure refinement with phenixrefine
-
Afonine PV, Grosse-Kunstleve RW, Echols N, Headd JJ, Moriarty NW, Mustyakimov M, Terwilliger T, Urzhumtsev A, Zwart PH, Adams PD. Towards automated crystallographic structure refinement with phenix.refine. Acta Cryst. 2012;D68: 352-367.
-
(2012)
Acta Cryst
, vol.D68
, pp. 352-367
-
-
Afonine, P.V.1
Grosse-Kunstleve, R.W.2
Echols, N.3
Headd, J.J.4
Moriarty, N.W.5
Mustyakimov, M.6
Terwilliger, T.7
Urzhumtsev, A.8
Zwart, P.H.9
Adams, P.D.10
-
71
-
-
0001549117
-
A structure-factor least-squares refinement procedure for macromolecular structures using constrained and restrained parameters
-
Sussman JL, Holbrook SR, Church GM, Kim S-H. A structure-factor least-squares refinement procedure for macromolecular structures using constrained and restrained parameters. Acta Cryst. 1977;A33: 800-804.
-
(1977)
Acta Cryst
, vol.A33
, pp. 800-804
-
-
Sussman, J.L.1
Holbrook, S.R.2
Church, G.M.3
Kim, S.-H.4
-
72
-
-
0000168119
-
Program construction for macromolecule atomic model refinement based on the fast fourier transform and fast differentiation algorithms
-
Lunin VY, Urzhumtsev A. Program construction for macromolecule atomic model refinement based on the fast Fourier transform and fast differentiation algorithms. Acta Cryst. 1985;A41: 327-333.
-
(1985)
Acta Cryst
, vol.A41
, pp. 327-333
-
-
Lunin, V.Y.1
Urzhumtsev, A.2
-
73
-
-
0030924992
-
Refinement of macromolecular structures by the maximumlikelihood method
-
Murshudov GN, Vagin AA, Dodson EJ. Refinement of macromolecular structures by the maximumlikelihood method. Acta Cryst. 1997;D53: 240-255.
-
(1997)
Acta Cryst
, vol.D53
, pp. 240-255
-
-
Murshudov, G.N.1
Vagin, A.A.2
Dodson, E.J.3
-
74
-
-
77957946297
-
-
Cambridge: Global Phasing;
-
Bricogne G, Blanc E, Brandl M, Flensburg C, Keller P, PaciorekW, Roversi P, Smart O, Vonrhein C, Womack TO. BUSTER v.2.8.0. Cambridge: Global Phasing; 2009.
-
(2009)
BUSTER V.2.8.0
-
-
Bricogne, G.1
Blanc, E.2
Brandl, M.3
Flensburg, C.4
Keller, P.5
Paciorekw Roversi, P.6
Smart, O.7
Vonrhein, C.8
Womack, T.O.9
-
75
-
-
76449098262
-
PHENIX: A comprehensive python-based system for macromolecular structure solution
-
Adams PD, Afonine PV, Bunkóczi G, ChenVB, Davis IW, Echols N, Headd JJ, Hung L-W, Kapral GJ, Grosse-Kunstleve RW, McCoy AJ, Moriarty NW, Oeffner R, Read RJ, Richardson DC, Richardson JS, Terwilliger TC, Zwart PH. PHENIX: a comprehensive Python-based system for macromolecular structure solution. Acta Cryst. 2010;D66: 213-221.
-
(2010)
Acta Cryst
, vol.D66
, pp. 213-221
-
-
Adams, P.D.1
Afonine, P.V.2
Bunkóczi, G.3
Chenvb Davis, I.W.4
Echols, N.5
Headd, J.J.6
Hung, L.-W.7
Kapral, G.J.8
Grosse-Kunstleve, R.W.9
McCoy, A.J.10
Moriarty, N.W.11
Oeffner, R.12
Read, R.J.13
Richardson, D.C.14
Richardson, J.S.15
Terwilliger, T.C.16
Zwart, P.H.17
-
76
-
-
80053570958
-
Atomic displacement parameters (adps), their parameterization and refinement in phenix
-
Afonine PV, Urzhumtsev A, Grosse-Kunstleve RW, Adams PD. Atomic displacement parameters (ADPs), their parameterization and refinement in PHENIX. Cryst Comput Newslett. 2010;1: 24-31.
-
(2010)
Cryst Comput Newslett
, vol.1
, pp. 24-31
-
-
Afonine, P.V.1
Urzhumtsev, A.2
Grosse-Kunstleve, R.W.3
Adams, P.D.4
-
77
-
-
0037391190
-
Structure of dimeric cytochrome c3 from desulfovibrio gigas at 1.2 a resolution
-
Aragao D, Frazao C, Sieker L, Sheldrick GM, LeGall J, Carrondo MA. Structure of dimeric cytochrome c3 from Desulfovibrio gigas at 1.2 A resolution. Acta Cryst. 2003;D59: 644-653.
-
(2003)
Acta Cryst
, vol.D59
, pp. 644-653
-
-
Aragao, D.1
Frazao, C.2
Sieker, L.3
Sheldrick, G.M.4
Legall, J.5
Carrondo, M.A.6
-
78
-
-
0035997166
-
Anisotropic behaviours of the c-terminal kunitz-type domain of the a3 chain of human type vi collagen at atomic resolution (0.9 a)
-
Arnoux B, Ducruix A, Prange T. Anisotropic behaviours of the C-terminal Kunitz-type domain of the a3 chain of human type VI collagen at atomic resolution (0.9 A). Acta Cryst. 2002;D58: 1252-1254.
-
(2002)
Acta Cryst
, vol.D58
, pp. 1252-1254
-
-
Arnoux, B.1
Ducruix, A.2
Prange, T.3
-
79
-
-
0018793812
-
Crystallographic studies of the dynamic properties of lysozyme
-
Artymiuk PJ, Blake CCF, Grace DEP, Oatley SJ, Phillips DC, Sternberg MJE. Crystallographic studies of the dynamic properties of lysozyme. Nature. 1979;280: 563-568.
-
(1979)
Nature
, vol.280
, pp. 563-568
-
-
Artymiuk, P.J.1
Blake, C.C.F.2
Grace, D.E.P.3
Oatley, S.J.4
Phillips, D.C.5
Sternberg, M.J.E.6
-
80
-
-
0001218081
-
Hydrogen bonding and thermal vibrations in crystalline phosphate salts of histidine and imidazole
-
Blessing R. Hydrogen bonding and thermal vibrations in crystalline phosphate salts of histidine and imidazole. Acta Cryst. 1986;B42: 613-621.
-
(1986)
Acta Cryst
, vol.B42
, pp. 613-621
-
-
Blessing, R.1
-
81
-
-
34250911461
-
Zur Theorie des Austauschproblems und der Remanenzerscheinung der Ferromagnetika
-
Bloch F. Zur Theorie des Austauschproblems und der Remanenzerscheinung der Ferromagnetika [On the theory of the exchange problem and the remanence phenomenon of ferromagnets]. Zeitschrift für Physik. 1932;74: 295-335.
-
(1932)
Zeitschrift für Physik
, vol.74
, pp. 295-335
-
-
Bloch, F.1
-
82
-
-
0034494194
-
Dynamics of molecules in crystals from multitemperature anisotropic displacement parameters
-
Bürgi HB, Capelli SC. Dynamics of molecules in crystals from multitemperature anisotropic displacement parameters. I. Theory. Acta Cryst. 2000;A56: 403-412.
-
(2000)
I. Theory. Acta Cryst
, vol.A56
, pp. 403-412
-
-
Bürgi, H.B.1
Capelli, S.C.2
-
83
-
-
0011952032
-
LucasBW Morgue,a newpowder diffraction profile refinement program with control-file factility to include structural and rigid-body thermal-motion constraints
-
Byrom PG, Hoffmann SE, LucasBW.MORGUE,a newpowder diffraction profile refinement program with control-file factility to include structural and rigid-body thermal-motion constraints. JAppl Cryst. 1989;22: 629-633.
-
(1989)
JAppl Cryst
, vol.22
, pp. 629-633
-
-
Byrom, P.G.1
Hoffmann, S.E.2
-
84
-
-
0034491829
-
Dynamics of molecules in crystals from multitemperature anisotropic displacement parameters ii application to benzene (c6d6) and urea [oc(nh)2]
-
Capelli SC, Fortsch M, Bürgi HB. Dynamics of molecules in crystals from multitemperature anisotropic displacement parameters. II. Application to benzene (C6D6) and urea [OC(NH)2]. Acta Cryst. 2000;A56: 413-424.
-
(2000)
Acta Cryst
, vol.A56
, pp. 413-424
-
-
Capelli, S.C.1
Fortsch, M.2
Bürgi, H.B.3
-
85
-
-
4143061452
-
Exploring the structural dynamics of the e coli chaperonin groel using translation-libration-screw crystallographic refinement of intermediate states
-
Chaudhry C, Horwich AL, Brunger AT, Adams PD. Exploring the structural dynamics of the E. coli chaperonin GroEL using translation-libration-screw crystallographic refinement of intermediate states. J Mol Biol. 2004;342: 229-245.
-
(2004)
J Mol Biol
, vol.342
, pp. 229-245
-
-
Chaudhry, C.1
Horwich, A.L.2
Brunger, A.T.3
Adams, P.D.4
-
86
-
-
0344890186
-
The structures of pyrimidines and purinesv The electron density distribution in adenine hydrochloride
-
CochranW. The structures of pyrimidines and purines.V. The electron density distribution in adenine hydrochloride. Acta Cryst. 1951;4: 81-92.
-
(1951)
Acta Cryst
, vol.4
, pp. 81-92
-
-
Cochran, W.1
-
87
-
-
0001184317
-
Some properties of the (fo-fc)-synthesis
-
CochranW. Some properties of the (Fo-Fc)-synthesis. Acta Cryst. 1951;4: 408-411.
-
(1951)
Acta Cryst
, vol.4
, pp. 408-411
-
-
Cochran, W.1
-
88
-
-
0000307306
-
On the use of normal modes in thermal parameter refinement: Theory and application to the bovine pancreatic trypsin inhibitor
-
Diamond R. On the use of normal modes in thermal parameter refinement: theory and application to the bovine pancreatic trypsin inhibitor. Acta Cryst. 1990;A46: 425-435.
-
(1990)
Acta Cryst
, vol.A46
, pp. 425-435
-
-
Diamond, R.1
-
89
-
-
0035793714
-
Crystal structure of gere, the ultimate transcriptional regulator of spore formation in bacillus subtilis
-
DucrosVM-A, Lewis R,Verna CS, Dodson EJ, Leonard G, Turkenburg JP, Murshudov GN,Wilkinson AJ, Brannigan JA. Crystal structure of GerE, the ultimate transcriptional regulator of spore formation in Bacillus subtilis. J Mol Biol. 2001;306: 759-771.
-
(2001)
J Mol Biol
, vol.306
, pp. 759-771
-
-
Vm-A, D.1
Lewis, R.2
Verna, C.S.3
Dodson, E.J.4
Leonard, G.5
Turkenburg, J.P.6
Murshudov, G.N.7
Wilkinson, A.J.8
Brannigan, J.A.9
-
90
-
-
29644444026
-
Crystallographic investigation of temperatureinduced phase transition of the tetrathiafulvalene-p-bromanil ttf-ba charge transfer complex
-
Garcia P, Dahaoui S, Fertey P,Wenger E, Lecomte C. Crystallographic investigation of temperatureinduced phase transition of the tetrathiafulvalene- p-bromanil, TTF-BA charge transfer complex. Phys Rev. 2005;B72: 104-115.
-
(2005)
Phys Rev
, vol.B72
, pp. 104-115
-
-
Garcia, P.1
Dahaoui, S.2
Fertey Pwenger, E.3
Lecomte, C.4
-
91
-
-
0032519982
-
Full-matrix least-squares refinement of lysozymes and analysis of anisotropic thermal motion
-
Harata K, Abe Y, Muraki M. Full-matrix least-squares refinement of lysozymes and analysis of anisotropic thermal motion. Proteins Struct Funct Genet. 1998;30: 232-243.
-
(1998)
Proteins Struct Funct Genet
, vol.30
, pp. 232-243
-
-
Harata, K.1
Abe, Y.2
Muraki, M.3
-
92
-
-
0033605892
-
Crystallographic evaluation of internal motion of human alphalactalbumin refined by full-matrix least-squares method
-
Harata K, Abe Y, Muraki M. Crystallographic evaluation of internal motion of human alphalactalbumin refined by full-matrix least-squares method. J Mol Biol. 1999;287: 347-358.
-
(1999)
J Mol Biol
, vol.287
, pp. 347-358
-
-
Harata, K.1
Abe, Y.2
Muraki, M.3
-
93
-
-
0037423042
-
Crystallographic analysis of the thermal motion of the inclusion complex of cyclomaltoheptaose (beta-cyclodextrin) with hexamethylentetramine
-
Harata K. Crystallographic analysis of the thermal motion of the inclusion complex of cyclomaltoheptaose (beta-cyclodextrin) with hexamethylentetramine. Carbohydr Res. 2003;338: 353-359.
-
(2003)
Carbohydr Res
, vol.338
, pp. 353-359
-
-
Harata, K.1
-
94
-
-
0006637345
-
The segmented anisotropic refinement of monoclinic papain by the application of the rigid-body tls model and comparison to bovine ribonuclease a
-
HarrisGW, Pickersgill RW,Howlin B, Moss DS. The segmented anisotropic refinement of monoclinic papain by the application of the rigid-body TLS model and comparison to bovine ribonuclease A. Acta Cryst. 1992;B48: 67-75.
-
(1992)
Acta Cryst
, vol.B48
, pp. 67-75
-
-
Harris, G.W.1
Pickersgill, R.W.2
Howlin, B.3
Moss, D.S.4
-
95
-
-
33846224004
-
Covariances of thermal parameters and their effect on rigid-body calculations
-
Hirshfeld FL, Shmueli U. Covariances of thermal parameters and their effect on rigid-body calculations. Acta Cryst. 1972;A28: 648-652.
-
(1972)
Acta Cryst
, vol.A28
, pp. 648-652
-
-
Hirshfeld, F.L.1
Shmueli, U.2
-
96
-
-
0021166273
-
Local mobility of nucleic acids as determined from crystallographic data i rna and b form dna
-
Holbrook SR, Kim S-H. Local mobility of nucleic acids as determined from crystallographic data. I. RNA and B form DNA. J Mol Biol. 1984;173: 361-388.
-
(1984)
J Mol Biol
, vol.173
, pp. 361-388
-
-
Holbrook, S.R.1
Kim, S.-H.2
-
97
-
-
84977299328
-
Anisotropic thermal parameter refinement of the dna dodecamercgcgaattcgcgby the segmented rigid-body method
-
Holbrook SR, Dickerson RE, Kim S-H. Anisotropic thermal parameter refinement of the DNA dodecamerCGCGAATTCGCGby the segmented rigid-body method.Acta Cryst. 1985;B41: 225-262.
-
(1985)
Acta Cryst
, vol.B41
, pp. 225-262
-
-
Holbrook, S.R.1
Dickerson, R.E.2
Kim, S.-H.3
-
98
-
-
0007210439
-
Analysis of atomic displacement parameters and molecular motion in crystals
-
HummelW, Raselli A, Burgi H-B. Analysis of atomic displacement parameters and molecular motion in crystals. Acta Cryst. 1990;B46: 683-692.
-
(1990)
Acta Cryst
, vol.B46
, pp. 683-692
-
-
Hummelw Raselli, A.1
Burgi, H.-B.2
-
99
-
-
0001776290
-
An introduction to thermal motion analysis
-
Ahmed FR, Hall SR, Huber CP, editor., Copnhagen: Munksgaard;
-
Johnson CK. An introduction to thermal motion analysis. In: Ahmed FR, Hall SR, Huber CP, editor. Crystallographic computing. Copnhagen: Munksgaard; 1970. p. 207-219.
-
(1970)
Crystallographic Computing
, pp. 207-219
-
-
Johnson, C.K.1
-
100
-
-
0025294520
-
Refinement of protein dynamic structure: Normal mode refinement
-
Kidera A, Gö N. Refinement of protein dynamic structure: normal mode refinement. Proc Natl Acad Sci USA. 1990;87: 3718-3722.
-
(1990)
Proc Natl Acad Sci USA
, vol.87
, pp. 3718-3722
-
-
Kidera, A.1
Gö, N.2
-
101
-
-
0026663419
-
Normal mode refinement: Crystallographic refinement of protein dynamic structure i theory and test by simulated diffraction data
-
Kidera A, Gö N. Normal mode refinement: crystallographic refinement of protein dynamic structure. I. Theory and test by simulated diffraction data. J Mol Biol. 1992;225: 457-475.
-
(1992)
J Mol Biol
, vol.225
, pp. 457-475
-
-
Kidera, A.1
Gö, N.2
-
102
-
-
0028208439
-
Dynamic structure of human lysozyme derived from x-ray crystallography: Normal mode refinement
-
Kidera A, Matsushima M, Gö N. Dynamic structure of human lysozyme derived from X-ray crystallography: normal mode refinement. Biophys Chem. 1994;50: 25-31.
-
(1994)
Biophys Chem
, vol.50
, pp. 25-31
-
-
Kidera, A.1
Matsushima, M.2
Gö, N.3
-
103
-
-
0025904209
-
Rigid protein motion as a model for crystallographic temperature factors
-
Kuriyan J, Weis WI. Rigid protein motion as a model for crystallographic temperature factors. Proc Natl Acad Sci USA. 1991;88: 2773-2777.
-
(1991)
Proc Natl Acad Sci USA
, vol.88
, pp. 2773-2777
-
-
Kuriyan, J.1
Weis, W.I.2
-
104
-
-
0033152783
-
Expanding the model: Anisotropic displacement parameters in protein structure refinement
-
Merritt EA. Expanding the model: anisotropic displacement parameters in protein structure refinement. Acta Cryst. 1999;D55: 1109-1117.
-
(1999)
Acta Cryst
, vol.D55
, pp. 1109-1117
-
-
Merritt, E.A.1
-
105
-
-
0035182568
-
The three-dimensional structure of human s100a12
-
Moroz OV, Antson AA, Murshudov GN, Maitland NJ, Dodson GG,Wilson KS, Skibshoj I, Lukanidin EM, Bronstein IB. The three-dimensional structure of human S100A12. Acta Cryst. 2001;D57: 20-29.
-
(2001)
Acta Cryst
, vol.D57
, pp. 20-29
-
-
Moroz, O.V.1
Antson, A.A.2
Murshudov, G.N.3
Maitland, N.J.4
Dodson Ggwilson, K.S.5
Skibshoj, I.6
Lukanidin, E.M.7
Bronstein, I.B.8
-
106
-
-
4243656401
-
X-ray analysis of domain motions in protein crystals
-
Dodson E, Moore M, Ralph A, Bailey S, editor., Warrington, UK: Daresbury Laboratory;
-
Moss DS, Tickle IJ, Theis O, Wostrack A. X-ray analysis of domain motions in protein crystals. In: Dodson E, Moore M, Ralph A, Bailey S, editor. Proceeding of the CCP4 Study Weekend. Macromolecular refinement.Warrington, UK: Daresbury Laboratory; 1996. p. 105-114.
-
(1996)
Proceeding of the CCP4 Study Weekend. Macromolecular Refinement
, pp. 105-114
-
-
Moss, D.S.1
Tickle, I.J.2
Theis, O.3
Wostrack, A.4
-
107
-
-
0032897075
-
Efficient anisotropic refinement of macromolecular structures using fft
-
Murshudov GN, Vagin AA, Lebedev A, Wilson KS, Dodson EJ. Efficient anisotropic refinement of macromolecular structures using FFT. Acta Cryst. 1999;D55: 247-255.
-
(1999)
Acta Cryst
, vol.D55
, pp. 247-255
-
-
Murshudov, G.N.1
Vagin, A.A.2
Lebedev, A.3
Wilson, K.S.4
Dodson, E.J.5
-
108
-
-
0002687004
-
Group anisotropic thermal parameter refinement of the light-harvestingcomplex from purple bacteria rhodopseudomonas acidophila
-
Dodson E, Moore M, Ralph A, Bailey S, editor., Warrington, UK: Daresbury Laboratory;
-
Papiz MZ, Prince SM. Group anisotropic thermal parameter refinement of the light-harvestingcomplex from purple bacteria Rhodopseudomonas acidophila. In: Dodson E, Moore M, Ralph A, Bailey S, editor. Proceeding of the CCP4 StudyWeekend. Macromolecular refinement.Warrington, UK: Daresbury Laboratory; 1996. p. 115-123.
-
(1996)
Proceeding of the CCP4 StudyWeekend. Macromolecular Refinement
, pp. 115-123
-
-
Papiz, M.Z.1
Prince, S.M.2
-
109
-
-
0037424652
-
The structure and thermal motion of the b800-850 lh2 complex from rpsacidophila at 2.0a resolution and 100 k: New structural features and functionally relevant motions
-
Papiz MZ, Prince SM. The structure and thermal motion of the B800-850 LH2 complex from Rps.acidophila at 2.0A resolution and 100 K: new structural features and functionally relevant motions. J Mol Biol. 2003;326: 1523-1538.
-
(2003)
J Mol Biol
, vol.326
, pp. 1523-1538
-
-
Papiz, M.Z.1
Prince, S.M.2
-
110
-
-
0013671885
-
Refinement of azulene assuming rigid-body thermal motion
-
Pawley GS. Refinement of azulene assuming rigid-body thermal motion. Acta Cryst. 1965;18: 560-561.
-
(1965)
Acta Cryst
, vol.18
, pp. 560-561
-
-
Pawley, G.S.1
-
111
-
-
0000534038
-
Further refinements of some rigid boron compounds
-
Pawley GS. Further refinements of some rigid boron compounds. Acta Cryst. 1966;20: 631-638.
-
(1966)
Acta Cryst
, vol.20
, pp. 631-638
-
-
Pawley, G.S.1
-
112
-
-
4243532355
-
Anisotropic temperature factors and screw rotation coefficients from a lattice dynamical viewpoint
-
Pawley GS. Anisotropic temperature factors and screw rotation coefficients from a lattice dynamical viewpoint. Acta Cryst. 1968;B24: 485-486.
-
(1968)
Acta Cryst
, vol.B24
, pp. 485-486
-
-
Pawley, G.S.1
-
113
-
-
84885589206
-
The use of molecular lattice dynamical motion
-
Ahmed FR, Hall SR, Huber CP, editor., Copnhagen: Munksgaard;
-
Pawley GS. The use of molecular lattice dynamical motion. In:Ahmed FR, Hall SR, Huber CP, editor. Crystallographic computing. Copnhagen: Munksgaard; 1970. p. 243-249.
-
(1970)
Crystallographic Computing
, pp. 243-249
-
-
Pawley, G.S.1
-
114
-
-
0030484314
-
Molecular rigid-body displacements in a tetragonal lysozyme crystal confirmed by x-ray diffuse scattering
-
Perez J, Faure P, Benoit J-P. Molecular rigid-body displacements in a tetragonal lysozyme crystal confirmed by X-ray diffuse scattering. Acta Cryst. 1996;D52: 722-729.
-
(1996)
Acta Cryst
, vol.D52
, pp. 722-729
-
-
Perez, J.1
Faure, P.2
Benoit, J.-P.3
-
115
-
-
0029108068
-
Structure of 6-phosphogluconate dehydrogenase refined at 2 a resolution
-
Phillips C, Gover S, Adams MJ. Structure of 6-phosphogluconate dehydrogenase refined at 2 A resolution. Acta Cryst. 1995;D51: 290-304.
-
(1995)
Acta Cryst
, vol.D51
, pp. 290-304
-
-
Phillips, C.1
Gover, S.2
Adams, M.J.3
-
116
-
-
0035957509
-
Conformational flexibility in t4 endonuclease vii revealed by crystallography: Implications for substrate binding and cleavage
-
Raaijmakers H, Toro I, Birkenbihl R, Kemper B, Suck D. Conformational flexibility in T4 endonuclease VII revealed by crystallography: implications for substrate binding and cleavage. J Mol Biol. 2001;308: 311-323.
-
(2001)
J Mol Biol
, vol.308
, pp. 311-323
-
-
Raaijmakers, H.1
Toro, I.2
Birkenbihl, R.3
Kemper, B.4
Suck, D.5
-
117
-
-
0026595547
-
Domain flexibility in aspartic proteinases
-
Sali A,Veerapandian B, Cooper JB, Moss DS, Hofmann T, Blundell TL. Domain flexibility in aspartic proteinases. Proteins Struct Funct Genet. 1992;12: 158-170.
-
(1992)
Proteins Struct Funct Genet
, vol.12
, pp. 158-170
-
-
Sali Aveerapandian, B.1
Cooper, J.B.2
Moss, D.S.3
Hofmann, T.4
Blundell, T.L.5
-
118
-
-
0037427472
-
Glutathione reductase of the malarial parasite plasmodium falciparum: Crystal structure and inhibitor development
-
Sarma GN, Savvidis SN, Becker K, Schirmer M, Schirmer RH, Karplus PA. Glutathione reductase of the malarial parasite Plasmodium falciparum: crystal structure and inhibitor development. J Mol Biol. 2003;328: 893-907.
-
(2003)
J Mol Biol
, vol.328
, pp. 893-907
-
-
Sarma, G.N.1
Savvidis, S.N.2
Becker, K.3
Schirmer, M.4
Schirmer, R.H.5
Karplus, P.A.6
-
119
-
-
0000842143
-
What we can learn from anisotropic temperature factors?
-
Dodson E, Moore M, Ralph A, Bailey S, editor., Warrington, UK: Daresbury Laboratory;
-
Schneider TR. What we can learn from anisotropic temperature factors? In: Dodson E, Moore M, Ralph A, Bailey S, editor. Proceeding of the CCP4 Study Weekend. Macromolecular refinement. Warrington, UK: Daresbury Laboratory; 1996. p. 133-144.
-
(1996)
Proceeding of the CCP4 Study Weekend. Macromolecular Refinement
, pp. 133-144
-
-
Schneider, T.R.1
-
120
-
-
0028887396
-
Full-matrix refinement of the protein crambin at 0.83a and 130 k
-
Stec B, Zhou R, Teeter MM. Full-matrix refinement of the protein crambin at 0.83A and 130 K. Acta Cryst. 1995;D51: 663-681.
-
(1995)
Acta Cryst
, vol.D51
, pp. 663-681
-
-
Stec, B.1
Zhou, R.2
Teeter, M.M.3
-
121
-
-
0018800867
-
Dynamic information from protein crystallography an analysis of temperature factors from refinement of the hen egg-white lysozyme structure
-
Sternberg MJE, Grace DEP, Phillips DC. Dynamic information from protein crystallography. An analysis of temperature factors from refinement of the hen egg-white lysozyme structure. J Mol Biol. 1979;130: 231-253.
-
(1979)
J Mol Biol
, vol.130
, pp. 231-253
-
-
Sternberg, M.J.E.1
Grace, D.E.P.2
Phillips, D.C.3
-
122
-
-
0001549117
-
A structure-factor least-squares refinement procedure for macromolecular structures using constrained and restrained parameters
-
Sussman JL, Holbrook SR, Church GM, Kim S-H. A structure-factor least-squares refinement procedure for macromolecular structures using constrained and restrained parameters. Acta Cryst. 1977;A33: 800-804.
-
(1977)
Acta Cryst
, vol.A33
, pp. 800-804
-
-
Sussman, J.L.1
Holbrook, S.R.2
Church, G.M.3
Kim, S.-H.4
-
123
-
-
0000438829
-
Analysis of molecular motion with allowance for intramolecular torsion
-
Trueblood KN. Analysis of molecular motion with allowance for intramolecular torsion. Acta Cryst. 1978;A34: 950-955.
-
(1978)
Acta Cryst
, vol.A34
, pp. 950-955
-
-
Trueblood, K.N.1
-
124
-
-
45349111265
-
Furan revisited: When to avoid ab initio studies on crystal structures
-
Verlinde CL, De Ranter CJ. Furan revisited: when to avoid ab initio studies on crystal structures. J Mol Struct (Therochem.). 1989;187: 161-167.
-
(1989)
J Mol Struct (Therochem.)
, vol.187
, pp. 161-167
-
-
Verlinde, C.L.1
De Ranter, C.J.2
-
125
-
-
0034257929
-
The 1.0a crystal structure of ca2+ -bound calmodulin: An analysis of disorder and implications for functionally relevant plasticity
-
Wilson MA, Brunger AT. The 1.0A crystal structure of Ca2+ -bound calmodulin: an analysis of disorder and implications for functionally relevant plasticity. J Mol Biol. 2000;301: 1237-1256.
-
(2000)
J Mol Biol
, vol.301
, pp. 1237-1256
-
-
Wilson, M.A.1
Brunger, A.T.2
-
126
-
-
0141890988
-
Macromolecular tls refinement in refmac at moderate resolutions
-
Wilson MA, BrungerAT. Macromolecular TLS refinement in REFMAC at moderate resolutions. Acta Cryst. 2003;D59: 1782-1792.
-
(2003)
Acta Cryst
, vol.D59
, pp. 1782-1792
-
-
Wilson, M.A.1
Brunger, A.T.2
-
127
-
-
0013461295
-
Macromolecular tls refinement in refmac at moderate resolutions
-
Winn MD, Murshudov GN, Papiz MZ. Macromolecular TLS refinement in REFMAC at moderate resolutions. Methods Enzymol. 2003;374: 300-321.
-
(2003)
Methods Enzymol
, vol.374
, pp. 300-321
-
-
Winn, M.D.1
Murshudov, G.N.2
Papiz, M.Z.3
-
128
-
-
0036898567
-
Refinement of the arginine kinase transition-state analogue complex at 1.2a resolution: Mechanistic insights
-
Yousef MS, Fabiola F, Gattis JL, Somasundaram T, Chapman MS. Refinement of the arginine kinase transition-state analogue complex at 1.2A resolution: mechanistic insights. Acta Cryst. 2002;D58: 2009-2017.
-
(2002)
Acta Cryst
, vol.D58
, pp. 2009-2017
-
-
Yousef, M.S.1
Fabiola, F.2
Gattis, J.L.3
Somasundaram, T.4
Chapman, M.S.5
|