-
1
-
-
0001635093
-
The Cambridge crystallographic data centre: Computer-based search, retrieval, analysis and display of information
-
Allen, F. H., Bellard. S., Brice, M. D., Cartwright, B. A., Doubleday, A., Higgs, H., Hummelink, T., Hummelink-Peters, B. G., Kennard, O., Motherwell, W. D. S., Rodgers, J. R. & Watson, D. G. (1979). The Cambridge Crystallographic Data Centre: computer-based search, retrieval, analysis and display of information. Acta Crystallog. sect. B, 35, 2331-2339.
-
(1979)
Acta Crystallog. Sect. B
, vol.35
, pp. 2331-2339
-
-
Allen, F.H.1
Bellard, S.2
Brice, M.D.3
Cartwright, B.A.4
Doubleday, A.5
Higgs, H.6
Hummelink, T.7
Hummelink-Peters, B.G.8
Kennard, O.9
Motherwell, W.D.S.10
Rodgers, J.R.11
Watson, D.G.12
-
4
-
-
0017411710
-
The protein data bank: A computer-based archival file for macromolecular structures
-
Bernstein, F. C., Koetzle, T. F., Williams, G. J. B., Meyer, E. F. Jr, Brice, M. D., Rogers, J. R., Kennard, O., Shimanouchi, T. & Tasumi, M. (1977). The Protein Data Bank: a computer-based archival file for macromolecular structures. J. Mol. Biol. 112, 535-542.
-
(1977)
J. Mol. Biol.
, vol.112
, pp. 535-542
-
-
Bernstein, F.C.1
Koetzle, T.F.2
Williams, G.J.B.3
Meyer E.F., Jr.4
Brice, M.D.5
Rogers, J.R.6
Kennard, O.7
Shimanouchi, T.8
Tasumi, M.9
-
5
-
-
0026813925
-
The computer program LUDI: A new method for the de novo design of enzyme inhibitors
-
Böhm, H.-J. (1992a). The computer program LUDI: a new method for the de novo design of enzyme inhibitors. J. Computer-aided Mol. Design, 6, 61-78.
-
(1992)
J. Computer-aided Mol. Design
, vol.6
, pp. 61-78
-
-
Böhm, H.-J.1
-
6
-
-
0027027467
-
LUDI: Rule-based automatic design of new substituents for enzyme inhibitor leads
-
Böhm, H.-J. (1992b). LUDI: rule-based automatic design of new substituents for enzyme inhibitor leads. J. Computer-aided Mol. Design, 6, 593-606.
-
(1992)
J. Computer-aided Mol. Design
, vol.6
, pp. 593-606
-
-
Böhm, H.-J.1
-
7
-
-
0020441466
-
Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 Å resolution. I. General features and binding of methotrexate
-
Bolin, J. T., Filman, D. J., Matthews, D. A., Hamlin, R. C. & Kraut, J. (1982). Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 Å resolution. I. General features and binding of methotrexate. J. Biol. Chem. 257, 13650-13662.
-
(1982)
J. Biol. Chem.
, vol.257
, pp. 13650-13662
-
-
Bolin, J.T.1
Filman, D.J.2
Matthews, D.A.3
Hamlin, R.C.4
Kraut, J.5
-
8
-
-
0024566942
-
New hydrogen-bond potentials for use in determining energetically favorable binding sites on molecules of known structure
-
Boobbyer, D. N. A., Goodford, P. J., McWhinnie, P. M. & Wade, R. C. (1989). New hydrogen-bond potentials for use in determining energetically favorable binding sites on molecules of known structure. J. Med. Chem. 32, 1083-1094.
-
(1989)
J. Med. Chem.
, vol.32
, pp. 1083-1094
-
-
Boobbyer, D.N.A.1
Goodford, P.J.2
McWhinnie, P.M.3
Wade, R.C.4
-
9
-
-
84986512474
-
CHARMM: A program for macromolecular energy minimisation, and dynamics calculations
-
Brooks, B. R., Bruccoleri, R. E., Olafson, B. D., States, D. J., Swaminathan, S. & Karplus, M. (1983). CHARMM: A program for macromolecular energy minimisation, and dynamics calculations. J. Comp. Chem. 4, 187-217.
-
(1983)
J. Comp. Chem.
, vol.4
, pp. 187-217
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
10
-
-
0022419375
-
Aromatic-aromatic interaction: A mechanism of protein structure stabilization
-
Burley S. K. & Petsko, G. A. (1985). Aromatic-aromatic interaction: a mechanism of protein structure stabilization. Science, 229, 23-28.
-
(1985)
Science
, vol.229
, pp. 23-28
-
-
Burley, S.K.1
Petsko, G.A.2
-
11
-
-
0022450133
-
Amino-aromatic interactions in proteins
-
Burley, S. K. & Petsko, G. A. (1986). Amino-aromatic interactions in proteins. FEBS Letters, 203, 139-143.
-
(1986)
FEBS Letters
, vol.203
, pp. 139-143
-
-
Burley, S.K.1
Petsko, G.A.2
-
12
-
-
0028103275
-
The CCP suite: Programs for protein crystallography
-
Collaborative Computational Project, Number 4 (1994). The CCP suite: programs for protein crystallography. Acta Crystallog. sect. D, 50, 760-763.
-
(1994)
Acta Crystallog. Sect. D
, vol.50
, pp. 760-763
-
-
-
13
-
-
0017187836
-
The nature of the accessible and buried surfaces in proteins
-
Chothia, C. (1976). The nature of the accessible and buried surfaces in proteins. J. Mol. Biol. 105, 1-14.
-
(1976)
J. Mol. Biol.
, vol.105
, pp. 1-14
-
-
Chothia, C.1
-
14
-
-
0015967881
-
Conformational parameters for amino acids in helical, β-sheet, and random coil regions calculated from proteins
-
Chou, P. Y. & Fasman, G. D. (1974). Conformational parameters for amino acids in helical, β-sheet, and random coil regions calculated from proteins. Biochemistry, 13, 211-222.
-
(1974)
Biochemistry
, vol.13
, pp. 211-222
-
-
Chou, P.Y.1
Fasman, G.D.2
-
15
-
-
0029242576
-
PRO_LIGAND: An approach to de novo molecular design. 1. Application to the design of organic molecules
-
Clark, D. E., Frenkel, D., Levy, S. A., Li, J., Murray, C. W., Robson, B., Waszkowycz, B. & Westhead, D. R. (1995). PRO_LIGAND: An approach to de novo molecular design. 1. Application to the design of organic molecules. J. Computer-aided Mol. Design, 9, 13-32.
-
(1995)
J. Computer-aided Mol. Design
, vol.9
, pp. 13-32
-
-
Clark, D.E.1
Frenkel, D.2
Levy, S.A.3
Li, J.4
Murray, C.W.5
Robson, B.6
Waszkowycz, B.7
Westhead, D.R.8
-
16
-
-
0022744127
-
1 subunit interface
-
1 subunit interface. Biopolymers, 25, 1229-1247.
-
(1986)
Biopolymers
, vol.25
, pp. 1229-1247
-
-
Connolly, M.L.1
-
17
-
-
0024549279
-
Automated site-directed drug design: A general algorithm for knowledge acquisition about hydrogen-bonding regions at protein surfaces
-
Danziger, D. J. & Dean, P. M. (1989a). Automated site-directed drug design: a general algorithm for knowledge acquisition about hydrogen-bonding regions at protein surfaces. Proc. Roy. Soc. ser. B, 236, 101-114.
-
(1989)
Proc. Roy. Soc. Ser. B
, vol.236
, pp. 101-114
-
-
Danziger, D.J.1
Dean, P.M.2
-
18
-
-
0024498660
-
Automated site-directed drug design: The prediction and observation of ligand point positions at hydrogen-bonding regions on protein surfaces
-
Danziger, D. J. & Dean, P. M. (1989b). Automated site-directed drug design: the prediction and observation of ligand point positions at hydrogen-bonding regions on protein surfaces. Proc. Roy. Soc. ser. B, 236, 115-124.
-
(1989)
Proc. Roy. Soc. Ser. B
, vol.236
, pp. 115-124
-
-
Danziger, D.J.1
Dean, P.M.2
-
19
-
-
0023936327
-
Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three dimensional structure
-
DesJarlais, R. L., Sheridan, R. P., Seibel, G. L., Dixon, J. S. & Kuntz, I. D. (1988). Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three dimensional structure. J. Med. Chem. 31, 722-729.
-
(1988)
J. Med. Chem.
, vol.31
, pp. 722-729
-
-
DesJarlais, R.L.1
Sheridan, R.P.2
Seibel, G.L.3
Dixon, J.S.4
Kuntz, I.D.5
-
20
-
-
0028282687
-
HOOK: A program for finding novel molecular architectures that satisfy the chemical and steric requirements of a macromolecule binding-site
-
Eisen, M. B., Wiley D. C., Karplus, M. & Hubbard, R. E. (1994). HOOK: a program for finding novel molecular architectures that satisfy the chemical and steric requirements of a macromolecule binding-site. Proteins: Struct. Funct. Genet., 19, 199-221.
-
(1994)
Proteins: Struct. Funct. Genet.
, vol.19
, pp. 199-221
-
-
Eisen, M.B.1
Wiley, D.C.2
Karplus, M.3
Hubbard, R.E.4
-
21
-
-
79952608525
-
Accurate bond and angle parameters for X-ray protein structure refinement
-
Engh, R. A. & Huber, R. (1991). Accurate bond and angle parameters for X-ray protein structure refinement. Acta Crystallog. sect. A, 47, 392-400.
-
(1991)
Acta Crystallog. Sect. A
, vol.47
, pp. 392-400
-
-
Engh, R.A.1
Huber, R.2
-
22
-
-
0020442184
-
Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 Å resolution. II. Environment of bound NADPH and implications for catalysis
-
Filman, D. J., Bolin, J. T., Matthews, D. A. & Kraut, J. (1982). Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 Å resolution. II. Environment of bound NADPH and implications for catalysis. J. Biol. Chem. 257, 13663-13672.
-
(1982)
J. Biol. Chem.
, vol.257
, pp. 13663-13672
-
-
Filman, D.J.1
Bolin, J.T.2
Matthews, D.A.3
Kraut, J.4
-
24
-
-
0023280069
-
Calculation of electrostatic potentials in an enzyme active-site
-
Gilson, M. K. & Honig, B. H. (1987). Calculation of electrostatic potentials in an enzyme active-site. Nature, 330, 84-86.
-
(1987)
Nature
, vol.330
, pp. 84-86
-
-
Gilson, M.K.1
Honig, B.H.2
-
25
-
-
0021871375
-
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
-
Goodford, P. J. (1985). A computational procedure for determining energetically favorable binding sites on biologically important macromolecules. J. Med. Chem. 28, 849-857.
-
(1985)
J. Med. Chem.
, vol.28
, pp. 849-857
-
-
Goodford, P.J.1
-
26
-
-
0027087369
-
Calculation of the free energy of association for protein complexes
-
Horton, N. & Lewis, M. (1992). Calculation of the free energy of association for protein complexes. Protein Sci. 1, 169-181.
-
(1992)
Protein Sci.
, vol.1
, pp. 169-181
-
-
Horton, N.1
Lewis, M.2
-
27
-
-
0025115609
-
Hydrogen bond stereochemistry in protein structure and function
-
Ippolito, J. A., Alexander, R. S. & Christianson, D. W. (1990). Hydrogen bond stereochemistry in protein structure and function. J. Mol. Biol. 215, 457-471.
-
(1990)
J. Mol. Biol.
, vol.215
, pp. 457-471
-
-
Ippolito, J.A.1
Alexander, R.S.2
Christianson, D.W.3
-
28
-
-
0026690571
-
A new approach to protein fold recognition
-
Jones, D. T., Taylor, W. R. & Thornton, J. M. (1992). A new approach to protein fold recognition. Nature, 358, 86-89.
-
(1992)
Nature
, vol.358
, pp. 86-89
-
-
Jones, D.T.1
Taylor, W.R.2
Thornton, J.M.3
-
29
-
-
0028854034
-
Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation
-
Jones, G., Willett, P. & Glen, R. C. (1995). Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation. J. Mol. Biol. 245, 43-53.
-
(1995)
J. Mol. Biol.
, vol.245
, pp. 43-53
-
-
Jones, G.1
Willett, P.2
Glen, R.C.3
-
30
-
-
0000356656
-
A graphics model building and refinement system for macromolecules
-
Jones, T. A. (1978). A graphics model building and refinement system for macromolecules. J. Appl. Crystallog. 11, 268-272.
-
(1978)
J. Appl. Crystallog.
, vol.11
, pp. 268-272
-
-
Jones, T.A.1
-
31
-
-
84889120137
-
Improved methods for building protein models in electron density maps and the location of errors in these models
-
Jones, T. A., Zou, J.-Y., Cowan, S. W. & Kjeldgaard, M. (1991). Improved methods for building protein models in electron density maps and the location of errors in these models. Acta Crystallog. sect. A, 47, 110-119.
-
(1991)
Acta Crystallog. Sect. A
, vol.47
, pp. 110-119
-
-
Jones, T.A.1
Zou, J.-Y.2
Cowan, S.W.3
Kjeldgaard, M.4
-
32
-
-
0028287528
-
The use of composite crystal-field environments in molecular recognition and the de novo design of protein ligands
-
Klebe, G. (1994). The use of composite crystal-field environments in molecular recognition and the de novo design of protein ligands. J. Mol. Biol. 237, 212-235.
-
(1994)
J. Mol. Biol.
, vol.237
, pp. 212-235
-
-
Klebe, G.1
-
33
-
-
0028318094
-
Factors influencing the ability of knowledge-based potentials to identify sequence-structure matches
-
Kocher, J.-P. A., Rooman, M. J. & Wodak, S. J. (1994). Factors influencing the ability of knowledge-based potentials to identify sequence-structure matches. J. Mol. Biol. 235, 1598-1613.
-
(1994)
J. Mol. Biol.
, vol.235
, pp. 1598-1613
-
-
Kocher, J.-P.A.1
Rooman, M.J.2
Wodak, S.J.3
-
34
-
-
0020491251
-
A geometric approach to macromolecule-ligand interactions
-
Kuntz, I. D., Blaney J. M., Oatley S. J., Langridge, R. & Ferrin, T. E. (1982). A geometric approach to macromolecule-ligand interactions. J. Mol. Biol. 161, 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
-
35
-
-
0001016942
-
Structure-based molecular design
-
Kuntz, I. D., Meng, E. C. & Shoichet, B. K. (1994). Structure-based molecular design. Accounts Chem. Res. 27, 117-123.
-
(1994)
Accounts Chem. Res.
, vol.27
, pp. 117-123
-
-
Kuntz, I.D.1
Meng, E.C.2
Shoichet, B.K.3
-
36
-
-
0028881975
-
SURFNET: A program for visualizing molecular surfaces, cavities and inter-molecular interactions
-
Laskowski, R. A. (1995). SURFNET: A program for visualizing molecular surfaces, cavities and inter-molecular interactions. J. Mol. Graph. 13, 323-330.
-
(1995)
J. Mol. Graph.
, vol.13
, pp. 323-330
-
-
Laskowski, R.A.1
-
37
-
-
0026570977
-
CLIX: A search algorithm for finding novel ligands capable of binding proteins of known three-dimensional structure
-
Lawrence, M. C. & Davis, P. C. (1992). CLIX: A search algorithm for finding novel ligands capable of binding proteins of known three-dimensional structure. Proteins: Struct. Funct. Genet., 12, 31-41.
-
(1992)
Proteins: Struct. Funct. Genet.
, vol.12
, pp. 31-41
-
-
Lawrence, M.C.1
Davis, P.C.2
-
38
-
-
0028773467
-
Crystal structures of peptide complexes of the amino-terminal SH2 domain of the Syp tyrosine phosphatase
-
Lee, C.-H., Kominos, D., Jacques, S., Margolis, B., Schlessinger, J., Shoelson, S. E. & Kuriyan, J. (1994). Crystal structures of peptide complexes of the amino-terminal SH2 domain of the Syp tyrosine phosphatase. Structure, 2, 423-438.
-
(1994)
Structure
, vol.2
, pp. 423-438
-
-
Lee, C.-H.1
Kominos, D.2
Jacques, S.3
Margolis, B.4
Schlessinger, J.5
Shoelson, S.E.6
Kuriyan, J.7
-
39
-
-
0028304962
-
Satisfying hydrogen bonding potential in proteins
-
McDonald, I. K. & Thornton, J. M. (1994). Satisfying hydrogen bonding potential in proteins. J. Mol. Biol. 238, 777-793.
-
(1994)
J. Mol. Biol.
, vol.238
, pp. 777-793
-
-
McDonald, I.K.1
Thornton, J.M.2
-
40
-
-
0029017638
-
The application of hydrogen bonding analysis in X-ray crystallography to help orient asparagine, glutamine and histidine side-chains
-
McDonald, I. K. & Thornton, J. M. (1995). The application of hydrogen bonding analysis in X-ray crystallography to help orient asparagine, glutamine and histidine side-chains. Protein Eng. 8, 217-224.
-
(1995)
Protein Eng.
, vol.8
, pp. 217-224
-
-
McDonald, I.K.1
Thornton, J.M.2
-
41
-
-
0025916872
-
Functionality maps of binding sites: A multiple copy simultaneous search method
-
Miranker, A. & Karplus, M. (1991). Functionality maps of binding sites: a multiple copy simultaneous search method. Proteins: Struct. Funct. Genet., 11, 29-34.
-
(1991)
Proteins: Struct. Funct. Genet.
, vol.11
, pp. 29-34
-
-
Miranker, A.1
Karplus, M.2
-
42
-
-
0028301445
-
Amino/ aromatic interactions in proteins: Is the evidence stacked against hydrogen bonding?
-
Mitchell, J. B. O., Nandi, C. L., McDonald, I. K., Thornton, J. M. & Price, S. L. (1994). Amino/ aromatic interactions in proteins: is the evidence stacked against hydrogen bonding? J. Mol. Biol. 239, 315-331.
-
(1994)
J. Mol. Biol.
, vol.239
, pp. 315-331
-
-
Mitchell, J.B.O.1
Nandi, C.L.2
McDonald, I.K.3
Thornton, J.M.4
Price, S.L.5
-
43
-
-
0000516014
-
A comparison of three theoretical approaches to the study of side-chain interactions in proteins
-
Mitchell, J. B. O., Nandi, C. L., Thornton, J. M., Price, S. L., Singh, J. & Snarey M. (1993). A comparison of three theoretical approaches to the study of side-chain interactions in proteins. J. Chem. Soc. Farad. Trans. 89, 2619-2630.
-
(1993)
J. Chem. Soc. Farad. Trans.
, vol.89
, pp. 2619-2630
-
-
Mitchell, J.B.O.1
Nandi, C.L.2
Thornton, J.M.3
Price, S.L.4
Singh, J.5
Snarey, M.6
-
44
-
-
0021375074
-
3-hybridized oxygen atoms and its relevance to ligand-macromolecule interactions
-
3-hybridized oxygen atoms and its relevance to ligand-macromolecule interactions. J. Am. Chem. Soc. 106, 1018-1025.
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 1018-1025
-
-
Murray-Rust, P.1
Glusker, J.P.2
-
45
-
-
0027996724
-
Computational molecular modeling in peptide drug design
-
Nikiforovich, G. V. (1994). Computational molecular modeling in peptide drug design. Int. J. Peptide Protein Res. 44, 513-531.
-
(1994)
Int. J. Peptide Protein Res.
, vol.44
, pp. 513-531
-
-
Nikiforovich, G.V.1
-
46
-
-
0027220647
-
Identification and classification of protein fold families
-
Orengo, C. A., Flores, T. P., Taylor, W. R. & Thornton, J. M. (1993). Identification and classification of protein fold families. Protein Eng. 6, 485-500.
-
(1993)
Protein Eng.
, vol.6
, pp. 485-500
-
-
Orengo, C.A.1
Flores, T.P.2
Taylor, W.R.3
Thornton, J.M.4
-
47
-
-
0000059250
-
Sulphur-aromatic interactions in proteins
-
Reid, K. S. C., Lindley P. F. & Thornton, J. M. (1985). Sulphur-aromatic interactions in proteins. FEBS Letters, 190, 209-213.
-
(1985)
FEBS Letters
, vol.190
, pp. 209-213
-
-
Reid, K.S.C.1
Lindley, P.F.2
Thornton, J.M.3
-
48
-
-
0027385177
-
Matching chemistry and shape in molecular docking
-
Shoichet, B. K. & Kuntz, I. D. (1993). Matching chemistry and shape in molecular docking. Protein Eng. 6, 723-732.
-
(1993)
Protein Eng.
, vol.6
, pp. 723-732
-
-
Shoichet, B.K.1
Kuntz, I.D.2
-
49
-
-
0342810084
-
The interaction between phenylalanine rings in proteins
-
Singh, J. & Thornton, J. M. (1985). The interaction between phenylalanine rings in proteins. FEBS Letters, 191, 1-6.
-
(1985)
FEBS Letters
, vol.191
, pp. 1-6
-
-
Singh, J.1
Thornton, J.M.2
-
50
-
-
0025700135
-
SIRIUS: An automated method for the analysis of the preferred packing arrangements between protein groups
-
Singh, J. & Thornton, J. M. (1990). SIRIUS: An automated method for the analysis of the preferred packing arrangements between protein groups. J. Mol. Biol. 211, 595-615.
-
(1990)
J. Mol. Biol.
, vol.211
, pp. 595-615
-
-
Singh, J.1
Thornton, J.M.2
-
52
-
-
0023657928
-
The geometries of interacting arginine-carboxyls in proteins
-
Singh, J., Thornton, J. M., Snarey M. & Campbell, S. F. (1987). The geometries of interacting arginine-carboxyls in proteins. FEBS Letters, 224, 161-171.
-
(1987)
FEBS Letters
, vol.224
, pp. 161-171
-
-
Singh, J.1
Thornton, J.M.2
Snarey, M.3
Campbell, S.F.4
-
53
-
-
85030206397
-
Towards understanding how side-chains pack in proteins
-
Balaram, P. & Ramaseshan, S., eds, Indian Academy of Sciences, Bangalore
-
Singh, J., Nandi, L. C. & Thornton, J. M. (1991a). Towards understanding how side-chains pack in proteins. In Molecular Conformation and Biological Interactions (Balaram, P. & Ramaseshan, S., eds), pp. 1-18, Indian Academy of Sciences, Bangalore.
-
(1991)
Molecular Conformation and Biological Interactions
, pp. 1-18
-
-
Singh, J.1
Nandi, L.C.2
Thornton, J.M.3
-
54
-
-
0026022652
-
A novel method for the modelling of peptide ligands to their receptors
-
Singh, J., Saldanha, J. & Thornton, J. M. (1991b). A novel method for the modelling of peptide ligands to their receptors. Protein Eng. 4, 251-261.
-
(1991)
Protein Eng.
, vol.4
, pp. 251-261
-
-
Singh, J.1
Saldanha, J.2
Thornton, J.M.3
-
55
-
-
0025341310
-
Calculation of conformational ensembles from potentials of mean force. An approach to the knowledge-based prediction of local structures in globular proteins
-
Sippl, M. J. (1990). Calculation of conformational ensembles from potentials of mean force. An approach to the knowledge-based prediction of local structures in globular proteins. J. Mol. Biol. 213, 859-883.
-
(1990)
J. Mol. Biol.
, vol.213
, pp. 859-883
-
-
Sippl, M.J.1
-
56
-
-
0027490731
-
Recognition of errors in three-dimensional structures of proteins
-
Sippl, M. J. (1993). Recognition of errors in three-dimensional structures of proteins. Proteins: Struct. Funct. Genet. 17, 355-362.
-
(1993)
Proteins: Struct. Funct. Genet.
, vol.17
, pp. 355-362
-
-
Sippl, M.J.1
-
57
-
-
0000528385
-
Structure determination and refinement of benzamidine-inhibited trypsin from the North Atlantic salmon (Salmo salar) at 1.82 Å resolution
-
Smalås, A. O. & Hordvik, A. (1993). Structure determination and refinement of benzamidine-inhibited trypsin from the North Atlantic salmon (Salmo salar) at 1.82 Å resolution. Acta Crystallog. sect. D, 49, 318-330.
-
(1993)
Acta Crystallog. Sect. D
, vol.49
, pp. 318-330
-
-
Smalås, A.O.1
Hordvik, A.2
-
58
-
-
0028033122
-
Cold adaption of enzymes: Structural comparison between salmon and bovine trypsins
-
Smalås, A. O., Heimstad, E. S., Hordvik, A., Willassen, N. P. & Male, R. (1994). Cold adaption of enzymes: structural comparison between salmon and bovine trypsins. Proteins: Struct. Funct. Genet. 20, 149-166.
-
(1994)
Proteins: Struct. Funct. Genet.
, vol.20
, pp. 149-166
-
-
Smalås, A.O.1
Heimstad, E.S.2
Hordvik, A.3
Willassen, N.P.4
Male, R.5
-
59
-
-
0025225682
-
X-ray crystallographic structure of a complex between a synthetic protease of human immunodeficiency virus 1 and a substrate-based hydroxyethylamine inhibitor
-
Swain, A. L., Miller, M. M., Green, J., Rich, D. H., Schneider, J., Kent, S. B. H. & Wlodawer, A. (1990). X-ray crystallographic structure of a complex between a synthetic protease of human immunodeficiency virus 1 and a substrate-based hydroxyethylamine inhibitor, Proc. Natl Acad. Sci. USA, 87, 8805-8809.
-
(1990)
Proc. Natl Acad. Sci. USA
, vol.87
, pp. 8805-8809
-
-
Swain, A.L.1
Miller, M.M.2
Green, J.3
Rich, D.H.4
Schneider, J.5
Kent, S.B.H.6
Wlodawer, A.7
-
60
-
-
0020173901
-
Electronic distributions within protein phenylalanine aromatic rings are reflected by the three-dimensional oxygen atom environments
-
Thomas, K. A., Smith, G. M., Thomas, T. B. & Feldmann, R. J. (1982). Electronic distributions within protein phenylalanine aromatic rings are reflected by the three-dimensional oxygen atom environments. Proc. Natl Acad. Sci. USA, 79, 4843-4847.
-
(1982)
Proc. Natl Acad. Sci. USA
, vol.79
, pp. 4843-4847
-
-
Thomas, K.A.1
Smith, G.M.2
Thomas, T.B.3
Feldmann, R.J.4
-
61
-
-
0024202702
-
Protein-protein recognition via side-chain interactions
-
Thornton, J. M., Singh, J., Campbell, S. & Blundell, T. L. (1988). Protein-protein recognition via side-chain interactions. Biochem. Soc. Trans. 16, 927-930.
-
(1988)
Biochem. Soc. Trans.
, vol.16
, pp. 927-930
-
-
Thornton, J.M.1
Singh, J.2
Campbell, S.3
Blundell, T.L.4
-
62
-
-
0028575449
-
Hydrophobic docking: A proposed enhancement to molecular recognition techniques
-
Vakser, I. A. & Aflalo, C. (1994). Hydrophobic docking: a proposed enhancement to molecular recognition techniques. Proteins: Struct Funct. Genet. 20, 320-329.
-
(1994)
Proteins: Struct Funct. Genet.
, vol.20
, pp. 320-329
-
-
Vakser, I.A.1
Aflalo, C.2
-
63
-
-
0028881193
-
Empirical free energy calculation of ligand-protein crystallographic complexes. I. Knowledge-based ligand-protein interaction potentials applied to the prediction of human immunodeficiency virus 1 protease binding affinity
-
Verkhivker, G., Appelt, K., Freer, S. T. & Villafranca, J. E. (1995). Empirical free energy calculation of ligand-protein crystallographic complexes. I. Knowledge-based ligand-protein interaction potentials applied to the prediction of human immunodeficiency virus 1 protease binding affinity Protein Eng. 8, 677-691.
-
(1995)
Protein Eng.
, vol.8
, pp. 677-691
-
-
Verkhivker, G.1
Appelt, K.2
Freer, S.T.3
Villafranca, J.E.4
-
64
-
-
0027287506
-
Rational design of potent sialidase-based inhibitors of influenza virus replication
-
von Itzstein, M., Wu, W.-Y., Kok, G. B., Pegg, M. S., Dyason, J. C., Jin, B., Phan, T. V., Smythe, M. L., White, H. F., Oliver, S. W., Colman, P. M., Varghese, J. N., Ryan, D. M., Woods, J. M., Bethell, R. C., Hotham, V. J., Cameron, J. M. & Penn, C. R. (1993). Rational design of potent sialidase-based inhibitors of influenza virus replication. Nature, 363, 418-423.
-
(1993)
Nature
, vol.363
, pp. 418-423
-
-
Von Itzstein, M.1
Wu, W.-Y.2
Kok, G.B.3
Pegg, M.S.4
Dyason, J.C.5
Jin, B.6
Phan, T.V.7
Smythe, M.L.8
White, H.F.9
Oliver, S.W.10
Colman, P.M.11
Varghese, J.N.12
Ryan, D.M.13
Woods, J.M.14
Bethell, R.C.15
Hotham, V.J.16
Cameron, J.M.17
Penn, C.R.18
-
65
-
-
0025398721
-
What if: A molecular modeling and drug design program
-
Vriend G (1990). WHAT IF: a molecular modeling and drug design program. J. Mol. Graph. 8, 52-56.
-
(1990)
J. Mol. Graph.
, vol.8
, pp. 52-56
-
-
Vriend, G.1
-
66
-
-
0027542118
-
Quality control of protein models: Directional atomic contact analysis
-
Vriend, G. & Sander, C. (1993). Quality control of protein models: directional atomic contact analysis. J. Appl. Crystallog. 26, 47-60.
-
(1993)
J. Appl. Crystallog.
, vol.26
, pp. 47-60
-
-
Vriend, G.1
Sander, C.2
-
67
-
-
0024583269
-
The role of hydrogen-bonds in drug binding
-
Alan R. Liss, Inc., New York
-
Wade, R. C. & Goodford, P. J. (1989). The role of hydrogen-bonds in drug binding. In Computer-Assisted Modeling of Receptor-Ligand Interactions: Theoretical Aspects and Applications to Drug Design, pp. 433-444, Alan R. Liss, Inc., New York.
-
(1989)
Computer-assisted Modeling of Receptor-ligand Interactions: Theoretical Aspects and Applications to Drug Design
, pp. 433-444
-
-
Wade, R.C.1
Goodford, P.J.2
-
68
-
-
0027510004
-
Further development of hydrogen bond functions for use in determining energetically favorable binding sites on molecules of known structure. 2. Ligand probe groups with the ability to form more than two hydrogen bonds
-
Wade, R. C. & Goodford, P. J. (1993). Further development of hydrogen bond functions for use in determining energetically favorable binding sites on molecules of known structure. 2. Ligand probe groups with the ability to form more than two hydrogen bonds. J. Med. Chem. 36, 148-156.
-
(1993)
J. Med. Chem.
, vol.36
, pp. 148-156
-
-
Wade, R.C.1
Goodford, P.J.2
-
69
-
-
0028922586
-
LIGPLOT: A program to generate schematic diagrams of protein-ligand interactions
-
Wallace, A. C., Laskowski, R. A. & Thornton, J. M. (1995). LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions. Protein Eng. 8, 127-134.
-
(1995)
Protein Eng.
, vol.8
, pp. 127-134
-
-
Wallace, A.C.1
Laskowski, R.A.2
Thornton, J.M.3
-
70
-
-
0029119320
-
A preference-based free-energy parameterization of enzyme-inhibitor binding. Applications to HIV-1-protease inhibitor design
-
Wallqvist, A., Jernigan, R. L. & Covell, D. G. (1995). A preference-based free-energy parameterization of enzyme-inhibitor binding. Applications to HIV-1-protease inhibitor design. Protein Sci. 4, 1881-1903.
-
(1995)
Protein Sci.
, vol.4
, pp. 1881-1903
-
-
Wallqvist, A.1
Jernigan, R.L.2
Covell, D.G.3
-
71
-
-
0017799801
-
A survey of atomic interactions in 21 proteins
-
Warme, P. K. & Morgan, R. S. (1978a). A survey of atomic interactions in 21 proteins. J. Mol. Biol. 118, 273-287.
-
(1978)
J. Mol. Biol.
, vol.118
, pp. 273-287
-
-
Warme, P.K.1
Morgan, R.S.2
-
72
-
-
0017872911
-
A survey of amino acid side-chain interactions in 21 proteins
-
Warme, P. K. & Morgan, R. S. (1978b). A survey of amino acid side-chain interactions in 21 proteins. J. Mol. Biol. 118, 289-304.
-
(1978)
J. Mol. Biol.
, vol.118
, pp. 289-304
-
-
Warme, P.K.1
Morgan, R.S.2
-
73
-
-
0021757436
-
A new force field for molecular mechanical simulation of nucleic acids and proteins
-
Weiner, S. J., Kollman, P. A., Case, D. A., Singh, U. C., Ghio, C., Alagona, G., Profeta, S. Jr & Weiner P (1984). A new force field for molecular mechanical simulation of nucleic acids and proteins. J. Am. Chem. Soc. 106, 765-784.
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 765-784
-
-
Weiner, S.J.1
Kollman, P.A.2
Case, D.A.3
Singh, U.C.4
Ghio, C.5
Alagona, G.6
Profeta S., Jr.7
Weiner, P.8
-
74
-
-
84988053694
-
An all atom force-field for simulations of proteins and nucleic-acids
-
Weiner, S. J., Kollman, P. A., Nguyen, D. T. & Case, D. A. (1986). An all atom force-field for simulations of proteins and nucleic-acids. J. Comput. Chem. 7, 230-252.
-
(1986)
J. Comput. Chem.
, vol.7
, pp. 230-252
-
-
Weiner, S.J.1
Kollman, P.A.2
Nguyen, D.T.3
Case, D.A.4
-
75
-
-
0027218692
-
Structure-based inhibitors of HIV-1 protease
-
Wlodawer, A. & Erickson, J. W. (1993). Structure-based inhibitors of HIV-1 protease. Annu. Rev. Biochem. 62, 543-585.
-
(1993)
Annu. Rev. Biochem.
, vol.62
, pp. 543-585
-
-
Wlodawer, A.1
Erickson, J.W.2
|