-
1
-
-
0033578748
-
Raman spectroscopy, the sleeping giant in structural biology, awakes
-
Carey PR, (1999) Raman spectroscopy, the sleeping giant in structural biology, awakes. J Biol Chem 274: 26625-26628.
-
(1999)
J Biol Chem
, vol.274
, pp. 26625-26628
-
-
Carey, P.R.1
-
2
-
-
2442668918
-
Vibrational spectroscopy and computer modeling of proteins: solving structure of human α1-acid glycoprotein
-
Kopecký V Jr, Ettrich R, Hofbauerová K, Baumruk V, (2004) Vibrational spectroscopy and computer modeling of proteins: solving structure of human α1-acid glycoprotein. Spectrosc-Int J 18: 323-330.
-
(2004)
Spectrosc-Int J
, vol.18
, pp. 323-330
-
-
Kopecký Jr., V.1
Ettrich, R.2
Hofbauerová, K.3
Baumruk, V.4
-
3
-
-
3142658015
-
Following ligand binding and ligand reactions in proteins via Raman crystallography
-
Carey PR, Dong J, (2004) Following ligand binding and ligand reactions in proteins via Raman crystallography. Biochemistry 43: 8885-8893.
-
(2004)
Biochemistry
, vol.43
, pp. 8885-8893
-
-
Carey, P.R.1
Dong, J.2
-
4
-
-
78149444302
-
Raman-assisted crystallography suggests a mechanism of X-ray-induced disulfide radical formation and reparation
-
Carpentier P, Royant A, Weik M, Bourgeois D, (2010) Raman-assisted crystallography suggests a mechanism of X-ray-induced disulfide radical formation and reparation. Structure 18: 1410-1419.
-
(2010)
Structure
, vol.18
, pp. 1410-1419
-
-
Carpentier, P.1
Royant, A.2
Weik, M.3
Bourgeois, D.4
-
5
-
-
79955846688
-
Raman-assisted crystallography of biomolecules at the synchrotron: Instrumentation, methods and applications
-
McGeehan JE, Bourgeois D, Royant A, Carpentier P, (2011) Raman-assisted crystallography of biomolecules at the synchrotron: Instrumentation, methods and applications. Biochim Biophys Acta 1814: 750-759.
-
(2011)
Biochim Biophys Acta
, vol.1814
, pp. 750-759
-
-
McGeehan, J.E.1
Bourgeois, D.2
Royant, A.3
Carpentier, P.4
-
6
-
-
69749094630
-
Biochemical and structural study of the homologues of the thiol-disulfide oxidoreductase DsbA in Neisseria meningitidis
-
Lafaye C, Iwema T, Carpentier P, Jullian-Binard C, Kroll JS, et al. (2009) Biochemical and structural study of the homologues of the thiol-disulfide oxidoreductase DsbA in Neisseria meningitidis. J Mol Biol 392: 952-966.
-
(2009)
J Mol Biol
, vol.392
, pp. 952-966
-
-
Lafaye, C.1
Iwema, T.2
Carpentier, P.3
Jullian-Binard, C.4
Kroll, J.S.5
-
7
-
-
0016389125
-
Comparison of protein structure in crystals, in lyophilized state, and in solution by laser Raman scattering. 3. α-Lactalbumin
-
Yu N-T, (1974) Comparison of protein structure in crystals, in lyophilized state, and in solution by laser Raman scattering. 3. α-Lactalbumin. J Am Chem Soc 96: 4664-4668.
-
(1974)
J Am Chem Soc
, vol.96
, pp. 4664-4668
-
-
Yu, N.-T.1
-
8
-
-
0026773101
-
Conformations, interactions, and thermostabilities of RNA and proteins in bean pod mottle virus: investigation of solution and crystal structures by laser Raman spectroscopy
-
Li T, Chen Z, Johnson JE, Thomas GJ Jr, (1992) Conformations, interactions, and thermostabilities of RNA and proteins in bean pod mottle virus: investigation of solution and crystal structures by laser Raman spectroscopy. Biochemistry 31: 6673-6682.
-
(1992)
Biochemistry
, vol.31
, pp. 6673-6682
-
-
Li, T.1
Chen, Z.2
Johnson, J.E.3
Thomas Jr., G.J.4
-
9
-
-
0024550631
-
Environmentally induced conformational changes in B-type DNA: comparison of the conformation of the oligonucleotide d(TCGCGAATTCGCG) in solution and in its crystalline complex with the restriction nuclease EcoRI
-
Thomas GA, Kubasek WL, Greene P, Grable J, Rosenberg JM, (1989) Environmentally induced conformational changes in B-type DNA: comparison of the conformation of the oligonucleotide d(TCGCGAATTCGCG) in solution and in its crystalline complex with the restriction nuclease EcoRI. Biochemistry 28: 2001-2009.
-
(1989)
Biochemistry
, vol.28
, pp. 2001-2009
-
-
Thomas, G.A.1
Kubasek, W.L.2
Greene, P.3
Grable, J.4
Rosenberg, J.M.5
-
10
-
-
0035853151
-
Comparing protein-ligand interactions in solution and single crystals by Raman spectroscopy
-
Altose MD, Zheng Y, Dong J, Palfey BA, Carey PR, (2001) Comparing protein-ligand interactions in solution and single crystals by Raman spectroscopy. Proc Natl Acad Sci USA 98: 3006-3011.
-
(2001)
Proc Natl Acad Sci USA
, vol.98
, pp. 3006-3011
-
-
Altose, M.D.1
Zheng, Y.2
Dong, J.3
Palfey, B.A.4
Carey, P.R.5
-
11
-
-
0242322766
-
Raman detection of proteomic analytes
-
Zhang D, Xie Y, Mrozek MF, Ortiz C, Davisson VJ, et al. (2003) Raman detection of proteomic analytes. Anal Chem 75: 5703-5709.
-
(2003)
Anal Chem
, vol.75
, pp. 5703-5709
-
-
Zhang, D.1
Xie, Y.2
Mrozek, M.F.3
Ortiz, C.4
Davisson, V.J.5
-
12
-
-
33750061923
-
Proline zwitterion dynamics in solution, glass, and crystalline state
-
Kapitán J, Baumruk V, Kopecký V Jr, Pohl R, Bouř P, (2006) Proline zwitterion dynamics in solution, glass, and crystalline state. J Am Chem Soc 128: 13451-13462.
-
(2006)
J Am Chem Soc
, vol.128
, pp. 13451-13462
-
-
Kapitán, J.1
Baumruk, V.2
Kopecký Jr., V.3
Pohl, R.4
Bouř, P.5
-
13
-
-
33750941544
-
Structure of the ring in drop coating deposited proteins and its implication for Raman spectroscopy of biomolecules
-
Kopecký V Jr, Baumruk V, (2006) Structure of the ring in drop coating deposited proteins and its implication for Raman spectroscopy of biomolecules. Vib Spectrosc 42: 184-187.
-
(2006)
Vib Spectrosc
, vol.42
, pp. 184-187
-
-
Kopecký Jr., V.1
Baumruk, V.2
-
14
-
-
0030732736
-
Capillary flow as the cause of ring stains from dried liquid drops
-
Deegan RD, Bakajin O, Dupot TF, Huber G, Gel SR, et al. (1997) Capillary flow as the cause of ring stains from dried liquid drops. Nature 389: 827-829.
-
(1997)
Nature
, vol.389
, pp. 827-829
-
-
Deegan, R.D.1
Bakajin, O.2
Dupot, T.F.3
Huber, G.4
Gel, S.R.5
-
15
-
-
33646843580
-
Validation of the drop coating deposition Raman method for protein analysis
-
Ortiz C, Zhang D, Xie Y, Ribbe AE, Ben-Amotz D, (2006) Validation of the drop coating deposition Raman method for protein analysis. Anal Biochem 353: 157-166.
-
(2006)
Anal Biochem
, vol.353
, pp. 157-166
-
-
Ortiz, C.1
Zhang, D.2
Xie, Y.3
Ribbe, A.E.4
Ben-Amotz, D.5
-
16
-
-
0037295369
-
Photosystem II: the engine of life
-
Barber J, (2003) Photosystem II: the engine of life. Q Rev Biophys 36: 71-89.
-
(2003)
Q Rev Biophys
, vol.36
, pp. 71-89
-
-
Barber, J.1
-
17
-
-
0029966774
-
The extrinsic polypeptides of photosystem II
-
Seidler A, (1996) The extrinsic polypeptides of photosystem II. Biochim Biophys Acta 1277: 35-60.
-
(1996)
Biochim Biophys Acta
, vol.1277
, pp. 35-60
-
-
Seidler, A.1
-
18
-
-
33644855090
-
PsbR, a missing link in the assembly of the oxygen-evolving complex of plant photosystem II
-
Suorsa M, Sirpio S, Allahverdiyeva Y, Paakkarinen V, Mamedov F, et al. (2006) PsbR, a missing link in the assembly of the oxygen-evolving complex of plant photosystem II. J Biol Chem 281: 145-150.
-
(2006)
J Biol Chem
, vol.281
, pp. 145-150
-
-
Suorsa, M.1
Sirpio, S.2
Allahverdiyeva, Y.3
Paakkarinen, V.4
Mamedov, F.5
-
19
-
-
0029966774
-
The extrinsic polypeptides of Photosystem II
-
Seidler A, (1996) The extrinsic polypeptides of Photosystem II. Biochim Biophys Acta 1277: 35-60.
-
(1996)
Biochim Biophys Acta
, vol.1277
, pp. 35-60
-
-
Seidler, A.1
-
20
-
-
30344437393
-
PsbP protein, but not PsbQ protein is essential for the regulation and stabilization of photosystem II in higher plants
-
Ifuku K, Yamamoto Y, Ono TA, Ishihara S, Sato F, (2005) PsbP protein, but not PsbQ protein is essential for the regulation and stabilization of photosystem II in higher plants. Plant Physiol 193: 1175-1184.
-
(2005)
Plant Physiol
, vol.193
, pp. 1175-1184
-
-
Ifuku, K.1
Yamamoto, Y.2
Ono, T.A.3
Ishihara, S.4
Sato, F.5
-
21
-
-
23444439654
-
Structure and function of the PsbP protein of photosystem II from higher plants
-
Ifuku K, Nakatsu T, Shimamoto R, Yamamoto Y, Ishihara S, et al. (2005) Structure and function of the PsbP protein of photosystem II from higher plants. Photosyn Res 84: 251-255.
-
(2005)
Photosyn Res
, vol.84
, pp. 251-255
-
-
Ifuku, K.1
Nakatsu, T.2
Shimamoto, R.3
Yamamoto, Y.4
Ishihara, S.5
-
22
-
-
34548297894
-
The PsbP protein is required for photosystem II complex assembly/stability and photoautotrophy in Arabidopsis thaliana
-
Yi X, Hargett SR, Liu H, Frankel LK, Bricker TM, (2007) The PsbP protein is required for photosystem II complex assembly/stability and photoautotrophy in Arabidopsis thaliana. J Biol Chem 282: 24833-24841.
-
(2007)
J Biol Chem
, vol.282
, pp. 24833-24841
-
-
Yi, X.1
Hargett, S.R.2
Liu, H.3
Frankel, L.K.4
Bricker, T.M.5
-
23
-
-
34249803219
-
Oxygen-evolving extrinsic proteins (PsbO, P, Q, R): Bioinformatics and functional analysis
-
De Las Rivas J, Heredia P, Roman A, (2007) Oxygen-evolving extrinsic proteins (PsbO, P, Q, R): Bioinformatics and functional analysis. Biochim Biophys Acta 1767: 575-582.
-
(2007)
Biochim Biophys Acta
, vol.1767
, pp. 575-582
-
-
de Las Rivas, J.1
Heredia, P.2
Roman, A.3
-
24
-
-
0037177852
-
Three dimensional cryo-EM study of extrinsic domains of the oxygen-evolving complex of spinach: assignment of the PsbO protein
-
Nield J, Balsera M, De Las Rivas J, Barber J, (2002) Three dimensional cryo-EM study of extrinsic domains of the oxygen-evolving complex of spinach: assignment of the PsbO protein. J Biol Chem 277: 15006-15012.
-
(2002)
J Biol Chem
, vol.277
, pp. 15006-15012
-
-
Nield, J.1
Balsera, M.2
de Las Rivas, J.3
Barber, J.4
-
25
-
-
0041875132
-
Electron microscopy in structural studies of photosystem II
-
Bumba L, Vacha FE, (2003) Electron microscopy in structural studies of photosystem II. Photosynth Res 77: 1-19.
-
(2003)
Photosynth Res
, vol.77
, pp. 1-19
-
-
Bumba, L.1
Vacha, F.E.2
-
26
-
-
70350565366
-
Functional architecture of higher plant photosystem II supercomplexes
-
Caffarri S, Kouril R, Kerei{dotless}che S, Boekema EJ, Croce R, (2009) Functional architecture of higher plant photosystem II supercomplexes. EMBO J 28: 3052-3063.
-
(2009)
EMBO J
, vol.28
, pp. 3052-3063
-
-
Caffarri, S.1
Kouril, R.2
Kereiche, S.3
Boekema, E.J.4
Croce, R.5
-
27
-
-
0035825682
-
Crystal structure of photosystem II from Synechococcus elongatus at 3.8 Å resolution
-
Zouni A, Witt HT, Kern J, Fromme P, Krauss N, et al. (2001) Crystal structure of photosystem II from Synechococcus elongatus at 3.8 Å resolution. Nature 409: 739-43.
-
(2001)
Nature
, vol.409
, pp. 739-743
-
-
Zouni, A.1
Witt, H.T.2
Kern, J.3
Fromme, P.4
Krauss, N.5
-
28
-
-
0037422557
-
Crystal structure of oxygen-evolving photosystem II from Thermosynechococcus vulcanus at 3.7-Å resolution
-
Kamiya N, Shen JR, (2003) Crystal structure of oxygen-evolving photosystem II from Thermosynechococcus vulcanus at 3.7-Å resolution. Proc Natl Acad Sci USA 100: 98-102.
-
(2003)
Proc Natl Acad Sci USA
, vol.100
, pp. 98-102
-
-
Kamiya, N.1
Shen, J.R.2
-
29
-
-
30744445692
-
Towards complete cofactor arrangement in the 3.0 Å resolution structure of photosystem II
-
Loll B, Cern J, Saenger W, Zouni A, Biesiadka J, (2005) Towards complete cofactor arrangement in the 3.0 Å resolution structure of photosystem II. Nature 438: 1040-1044.
-
(2005)
Nature
, vol.438
, pp. 1040-1044
-
-
Loll, B.1
Cern, J.2
Saenger, W.3
Zouni, A.4
Biesiadka, J.5
-
30
-
-
62049085169
-
Cyanobacterial photosystem II at 2.9 Å resolution and the role of quinones, lipids, channels and chloride
-
Guskov A, Kern J, Gabdullkhakov A, Broser M, Zouni A, et al. (2009) Cyanobacterial photosystem II at 2.9 Å resolution and the role of quinones, lipids, channels and chloride. Nature Struc Mol Biol 16: 334-341.
-
(2009)
Nature Struc Mol Biol
, vol.16
, pp. 334-341
-
-
Guskov, A.1
Kern, J.2
Gabdullkhakov, A.3
Broser, M.4
Zouni, A.5
-
31
-
-
57849168295
-
Structure, function and evolution of the PsbP protein family in higher plants
-
Ifuku K, Ishihara S, Shimamoto R, Ido K, Sato F, (2008) Structure, function and evolution of the PsbP protein family in higher plants. Photosyn Res 98: 427-437.
-
(2008)
Photosyn Res
, vol.98
, pp. 427-437
-
-
Ifuku, K.1
Ishihara, S.2
Shimamoto, R.3
Ido, K.4
Sato, F.5
-
32
-
-
21744439800
-
The 1.49 Å resolution crystal structure of PsbQ from photosystem II of Spinacia oleracea reveals a PPII structure in the N-terminal region
-
Balsera M, Arellano JB, Revuelta JL, De Las Rivas J, Hermoso JA, (2005) The 1.49 Å resolution crystal structure of PsbQ from photosystem II of Spinacia oleracea reveals a PPII structure in the N-terminal region. J Mol Biol 350: 1051-1060.
-
(2005)
J Mol Biol
, vol.350
, pp. 1051-1060
-
-
Balsera, M.1
Arellano, J.B.2
Revuelta, J.L.3
de Las Rivas, J.4
Hermoso, J.A.5
-
33
-
-
2442543556
-
Crystal structure of the PsbP protein of photosystem II from Nicotiana tabacum
-
Ifuku K, Nakatsu T, Kato H, Sato F, (2004) Crystal structure of the PsbP protein of photosystem II from Nicotiana tabacum. EMBO Rep 5: 362-367.
-
(2004)
EMBO Rep
, vol.5
, pp. 362-367
-
-
Ifuku, K.1
Nakatsu, T.2
Kato, H.3
Sato, F.4
-
34
-
-
77956154786
-
Structure of CyanoP at 2.8 Å: implications for the evolution and function of the PsbP subunit of photosystem II
-
Michoux F, Takasaka K, Boehm M, Nixon P, Murray JW, (2010) Structure of CyanoP at 2.8 Å: implications for the evolution and function of the PsbP subunit of photosystem II. Biochemistry 49: 7411-741.
-
(2010)
Biochemistry
, vol.49
, pp. 7411-7741
-
-
Michoux, F.1
Takasaka, K.2
Boehm, M.3
Nixon, P.4
Murray, J.W.5
-
35
-
-
59749085061
-
Crystallization and preliminary crystallographic characterization of the extrinsic PsbP protein of photosystem II from Spinacia olerace
-
Kohoutová J, Kuta Smatanová I, Brynda J, Lapkouski M, Revuelta JL, et al. (2009) Crystallization and preliminary crystallographic characterization of the extrinsic PsbP protein of photosystem II from Spinacia olerace. Acta Cryst F65: 111-115.
-
(2009)
Acta Cryst
, vol.F65
, pp. 111-115
-
-
Kohoutová, J.1
Kuta Smatanová, I.2
Brynda, J.3
Lapkouski, M.4
Revuelta, J.L.5
-
36
-
-
79958002353
-
Molecular functions of PsbP and PsbQ proteins in the photosystem II supercomplex
-
Ifuku K, Ido K, Sato F, (2011) Molecular functions of PsbP and PsbQ proteins in the photosystem II supercomplex. J Photochem Photobiol 104: 158-164.
-
(2011)
J Photochem Photobiol
, vol.104
, pp. 158-164
-
-
Ifuku, K.1
Ido, K.2
Sato, F.3
-
37
-
-
84988158466
-
Tryptophan Raman bands sensitive to hydrogen bonding and side-chain conformation
-
Miura T, Takeuchi H, Harada I, (1989) Tryptophan Raman bands sensitive to hydrogen bonding and side-chain conformation. J Raman Spectrosc 20: 667-671.
-
(1989)
J Raman Spectrosc
, vol.20
, pp. 667-671
-
-
Miura, T.1
Takeuchi, H.2
Harada, I.3
-
38
-
-
0033616633
-
Raman markers of nonaromatic side chains in an α-helix assembly: Ala, Asp, Glu, Gly, Ile, Leu, Lys, Ser, and Val residues of phage fd subunits
-
Overman SA, Thomas GJ Jr, (1999) Raman markers of nonaromatic side chains in an α-helix assembly: Ala, Asp, Glu, Gly, Ile, Leu, Lys, Ser, and Val residues of phage fd subunits. Biochemistry 38: 4018-4027.
-
(1999)
Biochemistry
, vol.38
, pp. 4018-4027
-
-
Overman, S.A.1
Thomas Jr., G.J.2
-
39
-
-
18444419164
-
Raman spectroscopy of proteins: from peptides to large assemblies
-
Tuma R, (2005) Raman spectroscopy of proteins: from peptides to large assemblies. J Raman Spectrosc 36: 307-319.
-
(2005)
J Raman Spectrosc
, vol.36
, pp. 307-319
-
-
Tuma, R.1
-
41
-
-
0029180908
-
Raman spectroscopy of proteins and their assemblies
-
In: Biswas BB, Roy S, editors, New York: Plenum Press
-
Miura T, Thomas GJ Jr (1995) Raman spectroscopy of proteins and their assemblies. In: Biswas BB, Roy S, editors. Subcellular Biochemistry, Vol. 24, Proteins: Structure, Function, and Engineering. New York: Plenum Press, pp. 55-99.
-
(1995)
Subcellular Biochemistry, Vol. 24, Proteins: Structure, Function, and Engineering
, pp. 55-99
-
-
Miura, T.1
Thomas Jr., G.J.2
-
42
-
-
0022503458
-
The secondary structure analysis using Raman amide I and amide III spectra
-
Williams RW, (1986) The secondary structure analysis using Raman amide I and amide III spectra. Methods Enzymol 130: 311-331.
-
(1986)
Methods Enzymol
, vol.130
, pp. 311-331
-
-
Williams, R.W.1
-
43
-
-
84986759513
-
Determination of the secondary structure of proteins from the Raman amide I band: the reference intensity profiles method
-
Berjot M, Marx J, Alix AJP, (1987) Determination of the secondary structure of proteins from the Raman amide I band: the reference intensity profiles method. J Raman Spectrosc 18: 289-300.
-
(1987)
J Raman Spectrosc
, vol.18
, pp. 289-300
-
-
Berjot, M.1
Marx, J.2
Alix, A.J.P.3
-
44
-
-
0023354464
-
Raman amide bands of type-II β-turns in cyclo-(VPGVG)3 and poly-(VPGVG), and implications for protein secondary-structure analysis
-
Thomas GJ Jr, Prescott B, Urry DW, (1987) Raman amide bands of type-II β-turns in cyclo-(VPGVG)3 and poly-(VPGVG), and implications for protein secondary-structure analysis. Biopolymers 26: 921-934.
-
(1987)
Biopolymers
, vol.26
, pp. 921-934
-
-
Thomas Jr., G.J.1
Prescott, B.2
Urry, D.W.3
-
45
-
-
0031574072
-
The Clustal X windows interface: flexible strategies for multiple sequence alignment aided by quality analysis tools
-
Thompson JD, Gibson TJ, Plewniak F, Jeanmougin F, Higgins DG, (1997) The Clustal X windows interface: flexible strategies for multiple sequence alignment aided by quality analysis tools. Nucleic Acids Res 25: 4876-4882.
-
(1997)
Nucleic Acids Res
, vol.25
, pp. 4876-4882
-
-
Thompson, J.D.1
Gibson, T.J.2
Plewniak, F.3
Jeanmougin, F.4
Higgins, D.G.5
-
46
-
-
0000243829
-
PROCHECK: a program to check the stereochemical quality of protein structures
-
Laskowski RA, MacArthur MW, Moss DS, Thornton JM, (1993) PROCHECK: a program to check the stereochemical quality of protein structures. J Appl Cryst 26: 283-291.
-
(1993)
J Appl Cryst
, vol.26
, pp. 283-291
-
-
Laskowski, R.A.1
MacArthur, M.W.2
Moss, D.S.3
Thornton, J.M.4
-
47
-
-
0028568650
-
Intrinsic secondary structure propensities of the amino acids, using statistical phi-psi matrices: comaprison with experimental scales
-
Munoz V, Serrano L, (1994) Intrinsic secondary structure propensities of the amino acids, using statistical phi-psi matrices: comaprison with experimental scales. Proteins 20: 301-311.
-
(1994)
Proteins
, vol.20
, pp. 301-311
-
-
Munoz, V.1
Serrano, L.2
-
48
-
-
0003076963
-
Recent changes to the MOSFLM package for processing film and image plate data
-
Leslie AGW (1992) Recent changes to the MOSFLM package for processing film and image plate data. Jnt CCP4/ESF-EACBM Newsl Protein Crystallogr 26.
-
(1992)
Jnt CCP4/ESF-EACBM Newsl Protein Crystallogr
, vol.26
-
-
Leslie, A.G.W.1
-
49
-
-
0028103275
-
-
Collaborative Computational Project, Number 4
-
Collaborative Computational Project, Number 4 (1994) Acta Cryst D50: 760-763.
-
(1994)
Acta Cryst
, vol.D50
, pp. 760-763
-
-
-
50
-
-
0014432781
-
Solvent content of protein crystals
-
Matthews BW, (1968) Solvent content of protein crystals. J Mol Biol 33: 491-497.
-
(1968)
J Mol Biol
, vol.33
, pp. 491-497
-
-
Matthews, B.W.1
-
51
-
-
0032897075
-
Efficient anisotropic refinement of macromolecular structures using FFT
-
Murshudov GN, Vagin AA, Lebedev A, Wilson KS, Dodson EJ, (1999) Efficient anisotropic refinement of macromolecular structures using FFT. Acta Cryst 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
-
52
-
-
13244281317
-
Coot: model-building tools for molecular graphics
-
Emsley P, Cowtan K, (2004) Coot: model-building tools for molecular graphics. Acta Cryst D60: 2126-2132.
-
(2004)
Acta Cryst
, vol.D60
, pp. 2126-2132
-
-
Emsley, P.1
Cowtan, K.2
-
53
-
-
0000560808
-
MOLREP: an Automated Program for Molecular Replacement
-
Vagin A, Teplyakov A, (1997) MOLREP: an Automated Program for Molecular Replacement. J Appl Cryst 30: 1022-1025.
-
(1997)
J Appl Cryst
, vol.30
, pp. 1022-1025
-
-
Vagin, A.1
Teplyakov, A.2
-
54
-
-
0028051828
-
Derivation of rules for comparative protein modeling from a database of protein structure alignments
-
Sali A, Overington JH, (1994) Derivation of rules for comparative protein modeling from a database of protein structure alignments. Protein Sci 3: 1582-1596.
-
(1994)
Protein Sci
, vol.3
, pp. 1582-1596
-
-
Sali, A.1
Overington, J.H.2
-
56
-
-
46249092554
-
GROMACS 4: algorithms for highly efficient, load-balanced, and scalable molecular simulation
-
Hess B, Kutzner C, van der Spoel D, Lindahl E, (2008) GROMACS 4: algorithms for highly efficient, load-balanced, and scalable molecular simulation. JCTC 4: 435-447.
-
(2008)
JCTC
, vol.4
, pp. 435-447
-
-
Hess, B.1
Kutzner, C.2
van der Spoel, D.3
Lindahl, E.4
-
57
-
-
33750587438
-
Molecular dynamics with coupling to an external bath
-
Berendsen HJC, Postma JPM, DiNola A, Haak JR, (1984) Molecular dynamics with coupling to an external bath. J Chem Phys 81: 3684-3690.
-
(1984)
J Chem Phys
, vol.81
, pp. 3684-3690
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
DiNola, A.3
Haak, J.R.4
-
58
-
-
33645941402
-
The OPLS force field for proteins. Energy minimizations for crystals of cyclic peptides and crambin
-
Jorgensen WL, Tirado-Rives J, (1988) The OPLS force field for proteins. Energy minimizations for crystals of cyclic peptides and crambin. J Am Chem Soc 110: 1657-1666.
-
(1988)
J Am Chem Soc
, vol.110
, pp. 1657-1666
-
-
Jorgensen, W.L.1
Tirado-Rives, J.2
-
59
-
-
33645961739
-
A smooth particle mesh Ewald method
-
Essman U, Perela L, Berkowitz ML, Darden T, Lee H, et al. (1995) A smooth particle mesh Ewald method. J Chem Phys 103: 8577-8592.
-
(1995)
J Chem Phys
, vol.103
, pp. 8577-8592
-
-
Essman, U.1
Perela, L.2
Berkowitz, M.L.3
Darden, T.4
Lee, H.5
-
60
-
-
0001585978
-
Improving efficiency of large time-scale molecular dynamics of hydrogen-rich systems
-
Feenstra KA, Hess B, Berendsen HJC, (1999) Improving efficiency of large time-scale molecular dynamics of hydrogen-rich systems. J Comput Chem 20: 786-798.
-
(1999)
J Comput Chem
, vol.20
, pp. 786-798
-
-
Feenstra, K.A.1
Hess, B.2
Berendsen, H.J.C.3
-
61
-
-
0000388705
-
LINCS: A LInear Constraint Solver for molecular simulations
-
Hess B, Bekker H, Berendsen HJC, Fraaije JGEM, (1997) LINCS: A LInear Constraint Solver for molecular simulations. J Comput Chem 18: 1463-1472.
-
(1997)
J Comput Chem
, vol.18
, pp. 1463-1472
-
-
Hess, B.1
Bekker, H.2
Berendsen, H.J.C.3
Fraaije, J.G.E.M.4
|