-
3
-
-
0042004524
-
Computer analysis of molecular geometry, part VI: Classification of differences in conformation
-
Murray-Rust, P.; Raftery, J. Computer Analysis of Molecular Geometry, Part VI: Classification of Differences in Conformation. J. Mol. Graph. 1985, 3, 50-59.
-
(1985)
J. Mol. Graph.
, vol.3
, pp. 50-59
-
-
Murray-Rust, P.1
Raftery, J.2
-
4
-
-
84986532529
-
Cluster analysis of molecular conformations
-
Shenkin, P. S.; McDonald, D. Q. Cluster Analysis of Molecular Conformations. J. Comput. Chem. 1994, 15, 899-916.
-
(1994)
J. Comput. Chem.
, vol.15
, pp. 899-916
-
-
Shenkin, P.S.1
McDonald, D.Q.2
-
5
-
-
84986435778
-
Algorithms for clustering molecular dynamics configurations
-
Torda, A. E.; Gunsteren, W. F. Algorithms for Clustering Molecular Dynamics Configurations. J. Comput. Chem. 1994, 15, 1331-1340.
-
(1994)
J. Comput. Chem.
, vol.15
, pp. 1331-1340
-
-
Torda, A.E.1
Gunsteren, W.F.2
-
6
-
-
0043040716
-
Conformer clustering algorithm and its application for crown-type macrocycles
-
Vesterman, B.; Golender, V.; Golender, L.; Fuchs, B. Conformer Clustering Algorithm and its Application for Crown-Type Macrocycles. J. Mol. Struct.: THEOCHEM 1996, 368, 145-151.
-
(1996)
J. Mol. Struct.: THEOCHEM
, vol.368
, pp. 145-151
-
-
Vesterman, B.1
Golender, V.2
Golender, L.3
Fuchs, B.4
-
7
-
-
0040315351
-
Introduction to multidimensional scaling
-
Academic Press: New York
-
Schiffman, S. S.; Reynolds, M. L.; Young, F. W. Introduction to Multidimensional Scaling: Theory, Methods, and Applications; Academic Press: New York, 1981.
-
(1981)
Theory, Methods, and Applications
-
-
Schiffman, S.S.1
Reynolds, M.L.2
Young, F.W.3
-
9
-
-
0011330077
-
The cambridge structural database in molecular graphics: Techniques for the rapid identification of conformational minima
-
Taylor, R. The Cambridge Structural Database in Molecular Graphics: Techniques for the Rapid Identification of Conformational Minima. J. Mol. Graph. 1986, 4, 123-131.
-
(1986)
J. Mol. Graph.
, vol.4
, pp. 123-131
-
-
Taylor, R.1
-
10
-
-
0000922470
-
Molecular conformations from distance matrices
-
Glunt, W.; Hayden, T. L.; Raydan, M. Molecular Conformations from Distance Matrices. J. Comput. Chem. 1993, 14, 114-120.
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 114-120
-
-
Glunt, W.1
Hayden, T.L.2
Raydan, M.3
-
11
-
-
0032530578
-
Clustering of low-energy conformations near the native structures of small proteins
-
Shortle, D.; Simons, K. T.; Baker, D. Clustering of Low-Energy Conformations Near the Native Structures of Small Proteins. Proc. Natl. Acad. Sci. U.S.A. 1998, 95, 11158-11162.
-
(1998)
Proc. Natl. Acad. Sci. U.S.A.
, vol.95
, pp. 11158-11162
-
-
Shortle, D.1
Simons, K.T.2
Baker, D.3
-
12
-
-
0023394762
-
Comparative conformation-activity relationships for hormonally- And centrally-acting TRH analogues
-
Ward, D. J.; Finn, P. W.; Griffith, E. C.; Robson, B. Comparative Conformation-Activity Relationships for Hormonally- and Centrally-Acting TRH Analogues. Int. J. Pept. Protein Res. 1987, 30, 263-274.
-
(1987)
Int. J. Pept. Protein Res.
, vol.30
, pp. 263-274
-
-
Ward, D.J.1
Finn, P.W.2
Griffith, E.C.3
Robson, B.4
-
14
-
-
0037571112
-
The merck molecular force field. I. Basis, form, scope, parametrization, and performance of MMFF94
-
Halgren, T. A. The Merck Molecular Force Field. I. Basis, Form, Scope, Parametrization, and Performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519.
-
(1996)
J. Comput. Chem.
, vol.17
, pp. 490-519
-
-
Halgren, T.A.1
-
15
-
-
0344778061
-
Semi-analytical treatment of solvation for molecular mechanics and dynamics
-
Still, W. C.; Tempczyk, A.; Hawley, R. C.; Hendrickson, T. Semi-analytical Treatment of Solvation for Molecular Mechanics and Dynamics. J. Am. Chem. Soc. 1990, 112, 6127-6129.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 6127-6129
-
-
Still, W.C.1
Tempczyk, A.2
Hawley, R.C.3
Hendrickson, T.4
-
16
-
-
4043171970
-
The GB/SA continuum model for solvation. A fast analytical method for the calculation of approximate born radii
-
Qiu, D.; Shenkin, P. S.; Hollinger, F. P.; Still, W. C. The GB/SA Continuum Model for Solvation. A Fast Analytical Method for the Calculation of Approximate Born Radii. J. Phys. Chem. A 1997, 101, 3005-3114.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 3005-3114
-
-
Qiu, D.1
Shenkin, P.S.2
Hollinger, F.P.3
Still, W.C.4
-
17
-
-
0000782536
-
A new approach.to probing conformational space with molecular mechanics: Random incremental pulse search
-
Ferguson, D. M.; Raber, D. J. A New Approach.to Probing Conformational Space with Molecular Mechanics: Random Incremental Pulse Search. J. Am. Chem. Soc. 1989, 111, 4371-4378.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 4371-4378
-
-
Ferguson, D.M.1
Raber, D.J.2
-
19
-
-
0005701177
-
From al-Khwarizmi to the foundation of computing
-
Girvan, R.; Grant, F. From al-Khwarizmi to the Foundation of Computing. Sci. Comput. World 2000, 52, 31.
-
(2000)
Sci. Comput. World
, vol.52
, pp. 31
-
-
Girvan, R.1
Grant, F.2
-
20
-
-
0032707157
-
On the accuracy of statistical procedures in microsoft excel 97
-
McCullough, B. D.; Wilson, B. On the Accuracy of Statistical Procedures in Microsoft Excel 97. Comput. Stat. Data Anal. 1999, 31, 27-37.
-
(1999)
Comput. Stat. Data Anal.
, vol.31
, pp. 27-37
-
-
McCullough, B.D.1
Wilson, B.2
-
21
-
-
1842308698
-
Multiconformational investigations of polypeptidic structures, using clustering methods and principal components analysis
-
Michel, A. G.; Jeandenans, C. Multiconformational Investigations of Polypeptidic Structures, Using Clustering Methods and Principal Components Analysis. Comput. Chem. 1993, 17, 49-59.
-
(1993)
Comput. Chem.
, vol.17
, pp. 49-59
-
-
Michel, A.G.1
Jeandenans, C.2
-
22
-
-
0029831680
-
An automated approach for clustering an ensemble of NMR-derived protein structures into conformationally related subfamilies
-
Kelley, L. A.; Gardner, S. P.; Sutcliffe, M. J. An automated Approach for Clustering an Ensemble of NMR-Derived Protein Structures into Conformationally Related Subfamilies. Protein Eng. 1996, 9, 1063-1065.
-
(1996)
Protein Eng.
, vol.9
, pp. 1063-1065
-
-
Kelley, L.A.1
Gardner, S.P.2
Sutcliffe, M.J.3
-
23
-
-
0033954256
-
The protein data bank
-
Berman, H. M.; Westbrook, J.; Feng, Z.; Gilliland, G.; Bhat, T. N.; Weissig, H.; Shindyalov, I. N.; Bourne, P. E. The Protein Data Bank. Nucleic Acids Res. 2000, 28, 235-242.
-
(2000)
Nucleic Acids Res.
, vol.28
, pp. 235-242
-
-
Berman, H.M.1
Westbrook, J.2
Feng, Z.3
Gilliland, G.4
Bhat, T.N.5
Weissig, H.6
Shindyalov, I.N.7
Bourne, P.E.8
-
24
-
-
0028808762
-
An approach to protein homology modelling based on an ensemble of NMR structures: Application to the Sox-5 HMG-box protein
-
Adzhubei, A. A.; Laughton, C. A.; Neidle, S. An Approach to Protein Homology Modelling Based on an Ensemble of NMR Structures: Application to the Sox-5 HMG-Box Protein. Protein Eng. 1995, 8, 615-25.
-
(1995)
Protein Eng.
, vol.8
, pp. 615-625
-
-
Adzhubei, A.A.1
Laughton, C.A.2
Neidle, S.3
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