-
1
-
-
0017411710
-
The Protein Databank: A computer-based archival file for macromolecular structures
-
Bernstein,F.C., Koetzle,T.F, Williams,G.J.B., Meyer,E.F., Brice,Jr,M.D., Rodgers,J.R., Kennard,O., Shimanouchi,T. and Tasumi,M. (1977) The Protein Databank: a computer-based archival file for macromolecular structures. J. Mol. Biol., 122, 535-542.
-
(1977)
J. Mol. Biol
, vol.122
, pp. 535-542
-
-
Bernstein, F.C.1
Koetzle, T.F.2
Williams, G.J.B.3
Meyer, E.F.4
Brice M.D., Jr.5
Rodgers, J.R.6
Kennard, O.7
Shimanouchi, T.8
Tasumi, M.9
-
2
-
-
0034228914
-
Assessing a mixture model for clustering with the integrated completed likelihood
-
Biernacki,C., Celeux,G. and Govaert,G. (2000) Assessing a mixture model for clustering with the integrated completed likelihood. IEEE Trans. Pattern Analysis and Machine Intelligence, 22, 719-725.
-
(2000)
IEEE Trans. Pattern Analysis and Machine Intelligence
, vol.22
, pp. 719-725
-
-
Biernacki, C.1
Celeux, G.2
Govaert, G.3
-
3
-
-
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. Comput. Aided Mol. Des., 6, 61-78.
-
(1992)
J. Comput. Aided Mol. Des
, vol.6
, pp. 61-78
-
-
Böhm, H.J.1
-
4
-
-
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. Comput. Aided Mol. Des., 6, 593-606.
-
(1992)
J. Comput. Aided Mol. Des
, vol.6
, pp. 593-606
-
-
Böhm, H.J.1
-
5
-
-
0028522983
-
On the use of LUDI to search the Fine Chemicals Directory for ligands of proteins of known three-dimensional structure
-
Böhm,H.J. (1994) On the use of LUDI to search the Fine Chemicals Directory for ligands of proteins of known three-dimensional structure. J. Comput. Aided Mol. Des., 8, 623-632.
-
(1994)
J. Comput. Aided Mol. Des
, vol.8
, pp. 623-632
-
-
Böhm, H.J.1
-
6
-
-
0024549279
-
Automated site-directed drug design: A general algorithm for knowledge acquisition about hydrogen-bonding regions at protein surfaces
-
Danziger,D.J. and Dean,P.M. (1989a) Automated site-directed drug design: a general algorithm for knowledge acquisition about hydrogen-bonding regions at protein surfaces. Proc. R. Soc. Ser. B, 236, 101-113.
-
(1989)
Proc. R. Soc. Ser. B
, vol.236
, pp. 101-113
-
-
Danziger, D.J.1
Dean, P.M.2
-
7
-
-
0024498660
-
Automated site-directed drug design: The prediction and observation of ligand point positions at hydrogen-bonding regions on protein surfaces
-
Danziger,D.J. and 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. R. Soc. Ser. B, 236, 115-124.
-
(1989)
Proc. R. Soc. Ser. B
, vol.236
, pp. 115-124
-
-
Danziger, D.J.1
Dean, P.M.2
-
8
-
-
0035882572
-
Adenine recognition: A motif present in ATP-, CoA-, NAD-, NADP- and FAD-dependent proteins
-
Denessiouk,K.A., Rantanen,V.-V. and Johnson,M.S. (2001) Adenine recognition: a motif present in ATP-, CoA-, NAD-, NADP- and FAD-dependent proteins. Proteins, 44, 282-291.
-
(2001)
Proteins
, vol.44
, pp. 282-291
-
-
Denessiouk, K.A.1
Rantanen, V.-V.2
Johnson, M.S.3
-
10
-
-
0003516147
-
-
Cambridge University Press, Cambridge
-
Durbin,R., Eddy,S.R., Krogh,A. and Mitchison,G.J. (1998) Biological Sequence Analysis: Probabilistic Models for Proteins and Nucleic Acids. Cambridge University Press, Cambridge.
-
(1998)
Biological Sequence Analysis: Probabilistic Models for Proteins and Nucleic Acids
-
-
Durbin, R.1
Eddy, S.R.2
Krogh, A.3
Mitchison, G.J.4
-
11
-
-
0003650063
-
-
Springer, New York, Berlin, Heidelberg
-
Ewens,W.J. and Grant,G.R. (2001) Statistical Methods of Bioinformatics. Springer, New York, Berlin, Heidelberg.
-
(2001)
Statistical Methods of Bioinformatics
-
-
Ewens, W.J.1
Grant, G.R.2
-
12
-
-
0000461280
-
Confidence limits on phylogenies: An approach using the bootstrap
-
Felsenstein,J. (1985) Confidence limits on phylogenies: an approach using the bootstrap. Evolution, 39, 783-791.
-
(1985)
Evolution
, vol.39
, pp. 783-791
-
-
Felsenstein, J.1
-
13
-
-
0014211361
-
Construction of phylogenetic trees
-
Fitch,W.M. and Margoliash,E. (1967) Construction of phylogenetic trees. Science, 155, 279-284.
-
(1967)
Science
, vol.155
, pp. 279-284
-
-
Fitch, W.M.1
Margoliash, E.2
-
14
-
-
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
-
15
-
-
0026292147
-
HINT: A new method of empirical hydrophobic field calculation for CoMFA
-
Kellogg,G.E., Semus,S.F. and Abraham,D.J. (1991) HINT: a new method of empirical hydrophobic field calculation for CoMFA. J. Comput. Aided. Mol. Des., 5, 545-552.
-
(1991)
J. Comput. Aided Mol. Des
, vol.5
, pp. 545-552
-
-
Kellogg, G.E.1
Semus, S.F.2
Abraham, D.J.3
-
16
-
-
0028287528
-
The use of composite crystal-field environments in molecular recognition and de novo design of protein ligands
-
Klebe,G. (1994) The use of composite crystal-field environments in molecular recognition and de novo design of protein ligands. J. Mol. Biol., 237, 212-235.
-
(1994)
J. Mol. Biol
, vol.237
, pp. 212-235
-
-
Klebe, G.1
-
18
-
-
0004257990
-
-
Dover Publications, Mineola, New York, Republication of the 1968 Dover edition (1969)
-
Kullback,S. (1997) Information Theory and Statistics. Dover Publications, Mineola, New York, Republication of the 1968 Dover edition (1969).
-
(1997)
Information Theory and Statistics
-
-
Kullback, S.1
-
19
-
-
0029895576
-
X-SITE: Use of empirically derived atomic packing preferences to identify favourable interaction regions in the binding sites of proteins
-
Laskowski,R.A., Thornton,J.M., Humblet,C. and Singh,J. (1996) X-SITE: use of empirically derived atomic packing preferences to identify favourable interaction regions in the binding sites of proteins. J. Mol. Biol., 259, 175-201.
-
(1996)
J. Mol. Biol
, vol.259
, pp. 175-201
-
-
Laskowski, R.A.1
Thornton, J.M.2
Humblet, C.3
Singh, J.4
-
20
-
-
0032125607
-
A set of van der Waals and coulombic radii of protein atoms for molecular and solvent-accessible surface calculation, packing evaluation, and docking
-
Li,A.-J. and Nussinov,R. (1998) A set of van der Waals and coulombic radii of protein atoms for molecular and solvent-accessible surface calculation, packing evaluation, and docking. Proteins: Struct. Funct. Genet., 32, 111-127.
-
(1998)
Proteins: Struct. Funct. Genet
, vol.32
, pp. 111-127
-
-
Li, A.-J.1
Nussinov, R.2
-
21
-
-
0032821685
-
Towards more meaningful hierarchical classification of amino acid scoring matrices
-
May,A.C.W. (1999a) Towards more meaningful hierarchical classification of amino acid scoring matrices. Protein Eng., 12, 707-712.
-
(1999)
Protein Eng
, vol.12
, pp. 707-712
-
-
May, A.C.W.1
-
22
-
-
0033214429
-
Towards more meaningful hierarchical classification of protein three-dimensional structures
-
May,A.C.W. (1999b) Towards more meaningful hierarchical classification of protein three-dimensional structures. Proteins, 37, 20-29.
-
(1999)
Proteins
, vol.37
, pp. 20-29
-
-
May, A.C.W.1
-
23
-
-
0033568305
-
A cautionary note on interpretation of hierachical classifications of protein folds
-
May,A.C.W. (1999c) A cautionary note on interpretation of hierachical classifications of protein folds. Structure, 7, R213.
-
(1999)
Structure
, vol.7
-
-
May, A.C.W.1
-
24
-
-
84948109721
-
-
John Wiley and Sons, New York, Chichester, Brisbane, Toronto, Singapore, Weinheim
-
McLachlan,G.J. and Krishnan,T. (1997) The EM Algorithm and Extensions. John Wiley and Sons, New York, Chichester, Brisbane, Toronto, Singapore, Weinheim.
-
(1997)
The EM Algorithm and Extensions
-
-
McLachlan, G.J.1
Krishnan, T.2
-
25
-
-
0033669857
-
Simple knowledge-based descriptors to predict protein-ligand interactions. Methodology and validation
-
Nissink,J.W.M, Verdonk,M.L. and Klebe,G. (2000) Simple knowledge-based descriptors to predict protein-ligand interactions. Methodology and validation. J. Comput. Aided Mol. Des., 14, 787-803.
-
(2000)
J. Comput. Aided Mol. Des
, vol.14
, pp. 787-803
-
-
Nissink, J.W.M.1
Verdonk, M.L.2
Klebe, G.3
-
26
-
-
0025770179
-
Modelling of solvent positions around polar groups in proteins
-
Pitt,W.R. and Goodfellow,J.M. (1991) Modelling of solvent positions around polar groups in proteins. Protein Eng., 4, 531-537.
-
(1991)
Protein Eng
, vol.4
, pp. 531-537
-
-
Pitt, W.R.1
Goodfellow, J.M.2
-
27
-
-
0035850756
-
A fragment library based on Gaussian mixtures predicting favorable molecular interactions
-
Rantanen,V.-V., Denessiouk,K.A., Gyllenberg,M., Koski,T. and Johnson,M.S. (2001) A fragment library based on Gaussian mixtures predicting favorable molecular interactions. J. Mol. Biol., 313, 197-214.
-
(2001)
J. Mol. Biol
, vol.313
, pp. 197-214
-
-
Rantanen, V.-V.1
Denessiouk, K.A.2
Gyllenberg, M.3
Koski, T.4
Johnson, M.S.5
-
29
-
-
0033047007
-
SuperStar: A knowledge-based approach for indentifying interaction sites in proteins
-
Verdonk,M.L., Cole,J.C. and Taylor,R. (1999) SuperStar: a knowledge-based approach for indentifying interaction sites in proteins. J. Mol. Biol., 289, 1093-1108.
-
(1999)
J. Mol. Biol
, vol.289
, pp. 1093-1108
-
-
Verdonk, M.L.1
Cole, J.C.2
Taylor, R.3
-
30
-
-
0035970295
-
SuperStar: Improved knowledge-based interaction field for protein binding sites
-
Verdonk,M.L., Cole,J.C., Watson,P., Gillet,V. and Willett,P. (2001) SuperStar: improved knowledge-based interaction field for protein binding sites. J. Mol. Biol., 307, 841-859.
-
(2001)
J. Mol. Biol
, vol.307
, pp. 841-859
-
-
Verdonk, M.L.1
Cole, J.C.2
Watson, P.3
Gillet, V.4
Willett, P.5
-
31
-
-
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. and 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
-
32
-
-
0027439587
-
Further development of hydrogen bond functions for use in determining energetically favorable binding sites on molecules of known structure. 1. Ligand probe groups with the ability to form two hydrogen bonds
-
Wade,R.C., Clark,K.J. and Goodford,P.J. (1993) Further development of hydrogen bond functions for use in determining energetically favorable binding sites on molecules of known structure. 1. Ligand probe groups with the ability to form two hydrogen bonds. J. Med. Chem., 36, 140-147.
-
(1993)
J. Med. Chem
, vol.36
, pp. 140-147
-
-
Wade, R.C.1
Clark, K.J.2
Goodford, P.J.3
|