-
1
-
-
0030574268
-
Structure-base drug design
-
(6604 suppl)
-
Blundell TL. Structure-base drug design. Nature. 384:1996;23-36. (6604 suppl).
-
(1996)
Nature
, vol.384
, pp. 23-36
-
-
Blundell, T.L.1
-
2
-
-
0029062909
-
Ligand-protein docking and rational drug design
-
Lybrand TP. Ligand-protein docking and rational drug design. Curr Opin Struct Biol. 5:1995;224-228.
-
(1995)
Curr Opin Struct Biol
, vol.5
, pp. 224-228
-
-
Lybrand, T.P.1
-
3
-
-
0028773887
-
Structure-based drug design: Progress, results and challenges
-
Verlinde CLMJ, Hol WGJ. Structure-based drug design: progress, results and challenges. Structure. 2:1994;577-587.
-
(1994)
Structure
, vol.2
, pp. 577-587
-
-
Verlinde, C.L.M.J.1
Hol, W.G.J.2
-
4
-
-
0030973630
-
Contributions of protein structure-based drug design to cancer chemotherapy
-
Jackson RC. Contributions of protein structure-based drug design to cancer chemotherapy. Semin Oncol. 24:1997;164-172.
-
(1997)
Semin Oncol
, vol.24
, pp. 164-172
-
-
Jackson, R.C.1
-
5
-
-
0030875781
-
'Flu' and structure-based drug design
-
Wade RC. 'Flu' and structure-based drug design. Structure. 5:1997;1139-1145.
-
(1997)
Structure
, vol.5
, pp. 1139-1145
-
-
Wade, R.C.1
-
6
-
-
0025737742
-
Perspective: Design of enzyme inhibitors using iterative protein crystallographic analysis
-
Appelt K, Bacquel RJ, Bartlet CA, Booth CL, Freer ST, Fuhry MA, Gehring MR, Herrmann SM, Howland EF, Janson CA. Perspective: design of enzyme inhibitors using iterative protein crystallographic analysis. J Med Chem. 34:1991;1925-1934.
-
(1991)
J Med Chem
, vol.34
, pp. 1925-1934
-
-
Appelt, K.1
Bacquel, R.J.2
Bartlet, C.A.3
Booth, C.L.4
Freer, S.T.5
Fuhry, M.A.6
Gehring, M.R.7
Herrmann, S.M.8
Howland, E.F.9
Janson, C.A.10
-
7
-
-
0000074870
-
Strategy and tactics in combinatorial organic synthesis. Applications to drug discovery
-
Gordon EM, Gallop MA, Patel DV. Strategy and tactics in combinatorial organic synthesis. Applications to drug discovery. Accounts Chem Res. 29:1996;144-154.
-
(1996)
Accounts Chem Res
, vol.29
, pp. 144-154
-
-
Gordon, E.M.1
Gallop, M.A.2
Patel, D.V.3
-
8
-
-
0028318863
-
Applications of combinatorial technologies to drug discovery. 2. Combinatorial organic synthesis, library screening strategies and future directions
-
Gordon EM, Barrett RW, Dower WT, Fodor SPA, Gallop MA. Applications of combinatorial technologies to drug discovery. 2. Combinatorial organic synthesis, library screening strategies and future directions. J Med Chem. 37:1994;1385-1400.
-
(1994)
J Med Chem
, vol.37
, pp. 1385-1400
-
-
Gordon, E.M.1
Barrett, R.W.2
Dower, W.T.3
Fodor, S.P.A.4
Gallop, M.A.5
-
9
-
-
0029065615
-
Combinatorial synthesis: The design of compound libraries and their application to drug discovery
-
Terret NK, Gardner M, Jordon D, Kobylecki RJ, Steele T. Combinatorial synthesis: the design of compound libraries and their application to drug discovery. Tetrahedron. 51:1995;8135-8173.
-
(1995)
Tetrahedron
, vol.51
, pp. 8135-8173
-
-
Terret, N.K.1
Gardner, M.2
Jordon, D.3
Kobylecki, R.J.4
Steele, T.5
-
10
-
-
0031569368
-
Serendipity meets precision: The integration of structure-based drug design and combinatorial chemistry for efficient drug discovery
-
Salemme FR, Spurlino J, Bone R. Serendipity meets precision: the integration of structure-based drug design and combinatorial chemistry for efficient drug discovery. Structure. 5:1997;319-324.
-
(1997)
Structure
, vol.5
, pp. 319-324
-
-
Salemme, F.R.1
Spurlino, J.2
Bone, R.3
-
12
-
-
0010456091
-
Isotope labeling for nmr studies of biomolecules
-
Pardi A. Isotope labeling for nmr studies of biomolecules. Curr Opin Struct Biol. 2:1992;832-835.
-
(1992)
Curr Opin Struct Biol
, vol.2
, pp. 832-835
-
-
Pardi, A.1
-
13
-
-
0031045585
-
Preparation of selenomethionyl proteins for phase determination
-
Dublie S. Preparation of selenomethionyl proteins for phase determination. Methods Enzymol. 276:1997;523-530.
-
(1997)
Methods Enzymol
, vol.276
, pp. 523-530
-
-
Dublie, S.1
-
15
-
-
0027431196
-
Synchroton beamlines for macromolecular crystallography
-
Ealick SE, Walter RL. Synchroton beamlines for macromolecular crystallography. Curr Opin Struct Biol. 3:1993;725-736.
-
(1993)
Curr Opin Struct Biol
, vol.3
, pp. 725-736
-
-
Ealick, S.E.1
Walter, R.L.2
-
16
-
-
0001493517
-
Developments in X-ray detectors
-
Pflugrath JW. Developments in X-ray detectors. Curr Opin Struct Biol. 2:1992;811-815.
-
(1992)
Curr Opin Struct Biol
, vol.2
, pp. 811-815
-
-
Pflugrath, J.W.1
-
17
-
-
0000722358
-
Macromolecular crystallography at cryogenic temperatures
-
Watenpaugh KD. Macromolecular crystallography at cryogenic temperatures. Curr Opin Struct Biol. 1:1991;1012-1015.
-
(1991)
Curr Opin Struct Biol
, vol.1
, pp. 1012-1015
-
-
Watenpaugh, K.D.1
-
18
-
-
0031058883
-
Phase determination from multiwave-length anomalous diffraction measurements
-
Hendrickson WA, Ogata CM. Phase determination from multiwave-length anomalous diffraction measurements. Methods Enzymol. 276:1997;494-502.
-
(1997)
Methods Enzymol
, vol.276
, pp. 494-502
-
-
Hendrickson, W.A.1
Ogata, C.M.2
-
19
-
-
0017411710
-
The Protein Data Bank: A computer based archival file of protein structures
-
URL: http://www.pdb/bnl.gov/
-
Bernstein FC, Koetzle TF, Williams GJB, Meyer EF, Brice MD, Rodgers JR, Kennard O, Shimanouchi T, Tasumi M. The Protein Data Bank: a computer based archival file of protein structures. J Mol Biol. 112:1997;535-542. URL: http://www.pdb/bnl.gov/.
-
(1997)
J Mol Biol
, vol.112
, pp. 535-542
-
-
Bernstein, F.C.1
Koetzle, T.F.2
Williams, G.J.B.3
Meyer, E.F.4
Brice, M.D.5
Rodgers, J.R.6
Kennard, O.7
Shimanouchi, T.8
Tasumi, M.9
-
20
-
-
0028882706
-
Docking small molecules into binding sites
-
Jones G, Willet P. Docking small molecules into binding sites. Curr Opin Biotechnol. 6:1995;652-656.
-
(1995)
Curr Opin Biotechnol
, vol.6
, pp. 652-656
-
-
Jones, G.1
Willet, P.2
-
21
-
-
0021871375
-
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
-
Goodford PJ. A computational procedure for determining energetically favorable binding sites on biologically important macromolecules. J Med Chem. 28:1985;849-857.
-
(1985)
J Med Chem
, vol.28
, pp. 849-857
-
-
Goodford, P.J.1
-
22
-
-
0020491251
-
A geometric approach to macromolecule-ligand interactions
-
Kuntz ID, Blaney JM, Oatley SJ, Langridge R, Ferrin TE. A geometric approach to macromolecule-ligand interactions. J Mol Biol. 161:1982;269-288.
-
(1982)
J Mol Biol
, vol.161
, pp. 269-288
-
-
Kuntz, I.D.1
Blaney, J.M.2
Oatley, S.J.3
Langridge, R.4
Ferrin, T.E.5
-
23
-
-
0024725804
-
ALLADIN: An integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching for three-dimensional molecular structures
-
Van Drie JH, Weininger D, Martin YC. ALLADIN: an integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching for three-dimensional molecular structures. J Comput Aided Mol Des. 3:1989;225-254.
-
(1989)
J Comput Aided Mol Des
, vol.3
, pp. 225-254
-
-
Van Drie, J.H.1
Weininger, D.2
Martin, Y.C.3
-
24
-
-
0025135112
-
Automated docking of substrates to proteins by simulated annealing
-
Goodsell DS, Olson AJ. Automated docking of substrates to proteins by simulated annealing. Proteins. 8:1990;195-202.
-
(1990)
Proteins
, vol.8
, pp. 195-202
-
-
Goodsell, D.S.1
Olson, A.J.2
-
25
-
-
0031307203
-
Evaluation of the CASP2 docking section
-
Dixon JS. Evaluation of the CASP2 docking section. Proteins. 1997;198-204.
-
(1997)
Proteins
, pp. 198-204
-
-
Dixon, J.S.1
-
26
-
-
0026813925
-
The computer program LUDI: A new method for the de novo design of enzyme inhibitors
-
Bohm HJ. The computer program LUDI: a new method for the de novo design of enzyme inhibitors. J Comput Aided Mol Des. 6:1992;61-78.
-
(1992)
J Comput Aided Mol Des
, vol.6
, pp. 61-78
-
-
Bohm, H.J.1
-
27
-
-
0026570977
-
CLIX: A search algorithm for finding novel ligands capable of binding proteins of known three-dimensional structure
-
Lawrence MC, Davis PC. CLIX: a search algorithm for finding novel ligands capable of binding proteins of known three-dimensional structure. Proteins. 12:1992;31-41.
-
(1992)
Proteins
, vol.12
, pp. 31-41
-
-
Lawrence, M.C.1
Davis, P.C.2
-
28
-
-
0027517544
-
Confirmation of usefulness of a structure construction program based on three-dimensional receptor structure for rational lead generation
-
Nishibata Y, Itai A. Confirmation of usefulness of a structure construction program based on three-dimensional receptor structure for rational lead generation. J Med Chem. 36:1993;2921-2928.
-
(1993)
J Med Chem
, vol.36
, pp. 2921-2928
-
-
Nishibata, Y.1
Itai, A.2
-
29
-
-
0027193713
-
GroupBuild: A fragment-based method for de novo drug design
-
Rotstein SH, Murcko MA. GroupBuild: a fragment-based method for de novo drug design. J Med Chem. 36:1993;1700-1710.
-
(1993)
J Med Chem
, vol.36
, pp. 1700-1710
-
-
Rotstein, S.H.1
Murcko, M.A.2
-
30
-
-
0027546998
-
FOUNDATION: A program to retrieve all possible structures containing a user-defined minimum number of matching query elements from three-dimensional databases
-
Ho CMW, Marshall GR. FOUNDATION: a program to retrieve all possible structures containing a user-defined minimum number of matching query elements from three-dimensional databases. J Comput Aided Mol Des. 7:1993;3-22.
-
(1993)
J Comput Aided Mol Des
, vol.7
, pp. 3-22
-
-
Ho, C.M.W.1
Marshall, G.R.2
-
31
-
-
84986432941
-
Automatic docking with grid-based energy evaluation
-
Meng EC, Soichet BK, Kuntz ID. Automatic docking with grid-based energy evaluation. J Comput Chem. 13:1992;505-524.
-
(1992)
J Comput Chem
, vol.13
, pp. 505-524
-
-
Meng, E.C.1
Soichet, B.K.2
Kuntz, I.D.3
-
32
-
-
0029435083
-
Rapid non-empirical approaches for estimating relative binding free energies
-
Mark AE, Xu Y, Liu H, van Gunsteren WF. Rapid non-empirical approaches for estimating relative binding free energies. Acta Biochim Pol. 42:1995;525-535.
-
(1995)
Acta Biochim Pol
, vol.42
, pp. 525-535
-
-
Mark, A.E.1
Xu, Y.2
Liu, H.3
Van Gunsteren, W.F.4
-
33
-
-
0029786114
-
Structure-based understanding of ligand affinity using human thrombin as a model system
-
Nienaber VL, Mersinger LJ, Kettner CA. Structure-based understanding of ligand affinity using human thrombin as a model system. Biochemistry. 35:1996;9690-9699.
-
(1996)
Biochemistry
, vol.35
, pp. 9690-9699
-
-
Nienaber, V.L.1
Mersinger, L.J.2
Kettner, C.A.3
-
34
-
-
0029940017
-
Empirical free energy as a target function in docking and design: Application to HIV-1 protease inhibitors
-
King BL, Vajda S, DeLisi C. Empirical free energy as a target function in docking and design: application to HIV-1 protease inhibitors. FEBS Lett. 384:1996;87-91.
-
(1996)
FEBS Lett
, vol.384
, pp. 87-91
-
-
King, B.L.1
Vajda, S.2
DeLisi, C.3
-
35
-
-
0027537127
-
Structural energetics of peptide recognition: Angiotensin II/antibody binding
-
Murphy KP, Xie D, Garcia KC, Amzel LM, Freire E. Structural energetics of peptide recognition: angiotensin II/antibody binding. Proteins. 15:1993;113-120.
-
(1993)
Proteins
, vol.15
, pp. 113-120
-
-
Murphy, K.P.1
Xie, D.2
Garcia, K.C.3
Amzel, L.M.4
Freire, E.5
-
36
-
-
0031984455
-
Structure-based thermodynamic design of peptide ligands: Application to peptide inhibitors of the aspartic protease endothiapepsin
-
Luque I, Gomez J, Semo N, Freire E. Structure-based thermodynamic design of peptide ligands: application to peptide inhibitors of the aspartic protease endothiapepsin. Proteins. 30:1998;74-85.
-
(1998)
Proteins
, vol.30
, pp. 74-85
-
-
Luque, I.1
Gomez, J.2
Semo, N.3
Freire, E.4
-
37
-
-
0030905238
-
Structure-based thermodynamic analysis of HIV-1 protease inhibitors
-
Bardi JS, Luque I, Freire E. Structure-based thermodynamic analysis of HIV-1 protease inhibitors. Biochemistry. 36:1997;6588-6596.
-
(1997)
Biochemistry
, vol.36
, pp. 6588-6596
-
-
Bardi, J.S.1
Luque, I.2
Freire, E.3
-
38
-
-
0029900846
-
The magnitude of the backbone conformational entropy change in protein folding
-
D'Aquino JA, Gomez J, Hilser VJ, Lee KH, Amzel LM, Freire E. The magnitude of the backbone conformational entropy change in protein folding. Proteins. 25:1996;143-156.
-
(1996)
Proteins
, vol.25
, pp. 143-156
-
-
D'Aquino, J.A.1
Gomez, J.2
Hilser, V.J.3
Lee, K.H.4
Amzel, L.M.5
Freire, E.6
-
39
-
-
0027991081
-
Estimation of changes in side chain configurational entropy in binding and folding: General methods and application to helix formation
-
Lee KH, Xie D, Freire E, Amzel LM. Estimation of changes in side chain configurational entropy in binding and folding: general methods and application to helix formation. Proteins. 20:1994;68-84.
-
(1994)
Proteins
, vol.20
, pp. 68-84
-
-
Lee, K.H.1
Xie, D.2
Freire, E.3
Amzel, L.M.4
-
40
-
-
0030917908
-
Loss of translational entropy in binding, folding, and catalysis
-
Amzel LM. Loss of translational entropy in binding, folding, and catalysis. Proteins. 28:1997;144-149.
-
(1997)
Proteins
, vol.28
, pp. 144-149
-
-
Amzel, L.M.1
-
41
-
-
0028127923
-
Entropy in biological binding processes: Estimation of translational entropy loss
-
Murphy KP, Xie D, Thompson KS, Amzel LM, Freire E. Entropy in biological binding processes: estimation of translational entropy loss. Proteins. 18:1994;63-67.
-
(1994)
Proteins
, vol.18
, pp. 63-67
-
-
Murphy, K.P.1
Xie, D.2
Thompson, K.S.3
Amzel, L.M.4
Freire, E.5
-
42
-
-
0027136282
-
Comparative protein modelling by satisfaction of spatial restraints
-
Sali A, Blundell TL. Comparative protein modelling by satisfaction of spatial restraints. J Mol Biol. 234:1993;779-815.
-
(1993)
J Mol Biol
, vol.234
, pp. 779-815
-
-
Sali, A.1
Blundell, T.L.2
-
43
-
-
0026018780
-
A new method for building protein conformations from sequence alignments with homologues of known structure
-
Havel TF, Snow ME. A new method for building protein conformations from sequence alignments with homologues of known structure. J Mol Biol. 217:1991;1-7.
-
(1991)
J Mol Biol
, vol.217
, pp. 1-7
-
-
Havel, T.F.1
Snow, M.E.2
-
44
-
-
0001433241
-
Knowledge based modelling of homologous proteins, Part I: Three-dimensional frameworks derived from the simultaneous superposition of multiple structures
-
Sutcliffe MJ, Haneef I, Carney D, Blundell TL. Knowledge based modelling of homologous proteins, Part I: three-dimensional frameworks derived from the simultaneous superposition of multiple structures. Prot Eng. 1:1987;377-384.
-
(1987)
Prot Eng
, vol.1
, pp. 377-384
-
-
Sutcliffe, M.J.1
Haneef, I.2
Carney, D.3
Blundell, T.L.4
-
45
-
-
0026754015
-
Accurate modeling of protein conformation by automatic segment matching
-
Levitt M. Accurate modeling of protein conformation by automatic segment matching. J Mol Biol. 226:1992;507-533.
-
(1992)
J Mol Biol
, vol.226
, pp. 507-533
-
-
Levitt, M.1
-
46
-
-
44049117466
-
Modeling the variable region of immunoglobins
-
Amzel LM. Modeling the variable region of immunoglobins. Immunomethods. 1:1992;91-95.
-
(1992)
Immunomethods
, vol.1
, pp. 91-95
-
-
Amzel, L.M.1
-
47
-
-
0022982795
-
Calculating three-dimensional changes in protein structure due to amino-acid substitutions: The variable region of immunoglobulins
-
Snow ME, Amzel LM. Calculating three-dimensional changes in protein structure due to amino-acid substitutions: the variable region of immunoglobulins. Proteins. 1:1986;267-279.
-
(1986)
Proteins
, vol.1
, pp. 267-279
-
-
Snow, M.E.1
Amzel, L.M.2
-
48
-
-
0029864977
-
Structure conservation in lipoxygenases: Structural analysis of soybean lipoxygenase-1 and modeling of human lipoxygenases
-
Prigge ST, Boyington JC, Gaffney BJ, Amzel LM. Structure conservation in lipoxygenases: structural analysis of soybean lipoxygenase-1 and modeling of human lipoxygenases. Proteins. 24:1996;275-291.
-
(1996)
Proteins
, vol.24
, pp. 275-291
-
-
Prigge, S.T.1
Boyington, J.C.2
Gaffney, B.J.3
Amzel, L.M.4
-
49
-
-
0010451264
-
Critical assessment of methods of protein structure
-
Moult J, Hubbard T, Bryant SH, Fidelas K, Pedersen JT. Critical assessment of methods of protein structure. Proteins. 1997;2-6.
-
(1997)
Proteins
, pp. 2-6
-
-
Moult, J.1
Hubbard, T.2
Bryant, S.H.3
Fidelas, K.4
Pedersen, J.T.5
-
50
-
-
0001751353
-
Overproduction of membrane proteins
-
Scherler GFX. Overproduction of membrane proteins. Curr Opin Struct Biol. 2:1992;534-544.
-
(1992)
Curr Opin Struct Biol
, vol.2
, pp. 534-544
-
-
Scherler, G.F.X.1
-
51
-
-
0026757989
-
Three-dimensional structure of an angiotensin II-Fab complex at 3 rA: Hormone recognition by an anti-iditypic antibody
-
Garcia KC, Ronco PM, Verroust PJ, Brunger AT, Amzel LM. Three-dimensional structure of an angiotensin II-Fab complex at 3 rA: hormone recognition by an anti-iditypic antibody. Science. 257:1992;502-507.
-
(1992)
Science
, vol.257
, pp. 502-507
-
-
Garcia, K.C.1
Ronco, P.M.2
Verroust, P.J.3
Brunger, A.T.4
Amzel, L.M.5
-
52
-
-
0025713663
-
Antibody-directed drug discovery
-
Wolff ME, McPherson A. Antibody-directed drug discovery. Nature. 345:1990;365-366.
-
(1990)
Nature
, vol.345
, pp. 365-366
-
-
Wolff, M.E.1
McPherson, A.2
-
53
-
-
0010455226
-
Commercially available databases of three-dimensional molecular structures
-
Rusinko A III. Commercially available databases of three-dimensional molecular structures. Chem Des Auto News. 8:1993;44-47.
-
(1993)
Chem Des Auto News
, vol.8
, pp. 44-47
-
-
Rusinko A. III1
-
54
-
-
0001835759
-
3D search and research using the Cambridge Structural Database
-
Allen FH, Kennard O. 3D search and research using the Cambridge Structural Database. Chem Des Auto News. 8:1993;31-37.
-
(1993)
Chem Des Auto News
, vol.8
, pp. 31-37
-
-
Allen, F.H.1
Kennard, O.2
-
55
-
-
0001797110
-
Rapid generation of high quality approximate 3-D molecular structures
-
Pearlman RS. Rapid generation of high quality approximate 3-D molecular structures. Chem Des Auto News. 2:1987;5-6.
-
(1987)
Chem Des Auto News
, vol.2
, pp. 5-6
-
-
Pearlman, R.S.1
-
56
-
-
0010451265
-
Experimental system for similarity and 3D searching of CAS registry substances. 1. 3D substructure searching
-
Fisanick W, Cross KP, Forman JC, Rusinko A III. Experimental system for similarity and 3D searching of CAS registry substances. 1. 3D substructure searching. J Chem Int Comput Sci. 33:1993;548-559.
-
(1993)
J Chem Int Comput Sci
, vol.33
, pp. 548-559
-
-
Fisanick, W.1
Cross, K.P.2
Forman, J.C.3
Rusinko A. III4
|