-
1
-
-
0037157153
-
Computational drug design accommodating receptor flexibility: The relaxed complex scheme
-
Lin, J.H., Perryman, A.L., Schames, J.R. and McCammon, J.A. (2002) Computational drug design accommodating receptor flexibility: the relaxed complex scheme. J. Am. Chem. Soc., 124, 5632-5633.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 5632-5633
-
-
Lin, J.H.1
Perryman, A.L.2
Schames, J.R.3
McCammon, J.A.4
-
2
-
-
1442351132
-
Protein flexibility in ligand docking and virtual screening to protein kinases
-
Cavasotto, C.N. and Abagyan, R.A. (2004) Protein flexibility in ligand docking and virtual screening to protein kinases. J. Mol. Biol., 337, 209-225.
-
(2004)
J. Mol. Biol.
, vol.337
, pp. 209-225
-
-
Cavasotto, C.N.1
Abagyan, R.A.2
-
3
-
-
0017776823
-
Dynamics of folded proteins
-
McCammon, J.A., Gelin, B.R. and Karplus, M. (1977) Dynamics of folded proteins. Nature, 267, 585-590.
-
(1977)
Nature
, vol.267
, pp. 585-590
-
-
McCammon, J.A.1
Gelin, B.R.2
Karplus, M.3
-
4
-
-
14244271476
-
Molecular dynamics simulation of nucleic acids: Successes, limitations, and promise
-
Cheatham, T.E. III and Young, M.A. (2000) Molecular dynamics simulation of nucleic acids: successes, limitations, and promise. Biopolymers, 56, 232-256.
-
(2000)
Biopolymers
, vol.56
, pp. 232-256
-
-
Cheatham III, T.E.1
Young, M.A.2
-
5
-
-
35748982413
-
Geometry-based sampling of conformational transitions in proteins
-
Seeliger, D., Haas, J. and de Groot, B.L. (2007) Geometry-based sampling of conformational transitions in proteins. Structure, 15, 1482-1492.
-
(2007)
Structure
, vol.15
, pp. 1482-1492
-
-
Seeliger, D.1
Haas, J.2
De Groot, B.L.3
-
6
-
-
27744471408
-
Constrained geometric simulation of diffusive motion in proteins
-
Wells, S., Menor, S., Hespenheide, B. and Thorpe, M.F. (2005) Constrained geometric simulation of diffusive motion in proteins. Phys. Biol., 2, S127-S136.
-
(2005)
Phys. Biol.
, vol.2
-
-
Wells, S.1
Menor, S.2
Hespenheide, B.3
Thorpe, M.F.4
-
7
-
-
0035044995
-
Conformational change of proteins arising from normal mode calculations
-
Tama, F. and Sanejouand, Y.H. (2001) Conformational change of proteins arising from normal mode calculations. Protein Eng., 14, 1-6.
-
(2001)
Protein Eng.
, vol.14
, pp. 1-6
-
-
Tama, F.1
Sanejouand, Y.H.2
-
8
-
-
0032533790
-
Analysis of domain motions by approximate normal mode calculations
-
Hinsen, K. (1998) Analysis of domain motions by approximate normal mode calculations. Proteins, 33, 417-429.
-
(1998)
Proteins
, vol.33
, pp. 417-429
-
-
Hinsen, K.1
-
9
-
-
33646799407
-
Multiscale modeling of macromolecular conformational changes combining concepts from rigidity and elastic network theory
-
Ahmed, A. and Gohlke, H. (2006) Multiscale modeling of macromolecular conformational changes combining concepts from rigidity and elastic network theory. Proteins, 63, 1038-1051.
-
(2006)
Proteins
, vol.63
, pp. 1038-1051
-
-
Ahmed, A.1
Gohlke, H.2
-
10
-
-
79960718392
-
A normal mode-based geometric simulation approach for exploring biologically relevant conformational transitions in proteins
-
Ahmed, A., Rippmann, F., Barnickel, G. and Gohlke, H. A normal mode-based geometric simulation approach for exploring biologically relevant conformational transitions in proteins. J. Chem. Inf. Model., 51, 1604-1622.
-
J. Chem. Inf. Model.
, vol.51
, pp. 1604-1622
-
-
Ahmed, A.1
Rippmann, F.2
Barnickel, G.3
Gohlke, H.4
-
11
-
-
0035427398
-
Protein flexibility predictions using graph theory
-
Jacobs, D.J., Rader, A.J., Kuhn, L.A. and Thorpe, M.F. (2001) Protein flexibility predictions using graph theory. Proteins, 44, 150-165.
-
(2001)
Proteins
, vol.44
, pp. 150-165
-
-
Jacobs, D.J.1
Rader, A.J.2
Kuhn, L.A.3
Thorpe, M.F.4
-
12
-
-
0028454915
-
A new approach for determining low-frequency normal modes in macromolecules
-
Durand, P., Trinquier, G. and Sanejouand, Y.-H. (1994) A new approach for determining low-frequency normal modes in macromolecules. Biopolymers, 34, 759-771.
-
(1994)
Biopolymers
, vol.34
, pp. 759-771
-
-
Durand, P.1
Trinquier, G.2
Sanejouand, Y.-H.3
-
13
-
-
0035937246
-
Effects of ligand binding on the association properties and conformation in solution of retinoic acid receptors RXR and RAR
-
Egea, P.F., Rochel, N., Birck, C., Vachette, P., Timmins, P.A. and Moras, D. (2001) Effects of ligand binding on the association properties and conformation in solution of retinoic acid receptors RXR and RAR. J. Mol. Biol., 307, 557-576.
-
(2001)
J. Mol. Biol.
, vol.307
, pp. 557-576
-
-
Egea, P.F.1
Rochel, N.2
Birck, C.3
Vachette, P.4
Timmins, P.A.5
Moras, D.6
-
14
-
-
0033614004
-
Asparagine and glutamine: Using hydrogen atom contacts in the choice of side-chain amide orientation
-
Word, J.M., Lovell, S.C., Richardson, J.S. and Richardson, D.C. (1999) Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientation. J. Mol. Biol., 285, 1735-1747.
-
(1999)
J. Mol. Biol.
, vol.285
, pp. 1735-1747
-
-
Word, J.M.1
Lovell, S.C.2
Richardson, J.S.3
Richardson, D.C.4
-
15
-
-
23444454552
-
The amber biomolecular simulation programs
-
Case, D.A., Cheatham, T.E. III, Darden, T., Gohlke, H., Luo, R., Merz, K.M. Jr, Onufriev, A., Simmerling, C., Wang, B. and Woods, R.J. (2005) The amber biomolecular simulation programs. J. Comp. Chem., 26, 1668-1688.
-
(2005)
J. Comp. Chem.
, vol.26
, pp. 1668-1688
-
-
Case, D.A.1
Cheatham Iii, T.E.2
Darden, T.3
Gohlke, H.4
Luo, R.5
Merz Jr., K.M.6
Onufriev, A.7
Simmerling, C.8
Wang, B.9
Woods, R.J.10
-
16
-
-
38349092279
-
Conformational transitions in adenylate kinase. Allosteric communication reduces misligation
-
Whitford, P.C., Gosavi, S. and Onuchic, J.N. (2008) Conformational transitions in adenylate kinase. Allosteric communication reduces misligation. J. Biol. Chem., 283, 2042-2048.
-
(2008)
J. Biol. Chem.
, vol.283
, pp. 2042-2048
-
-
Whitford, P.C.1
Gosavi, S.2
Onuchic, J.N.3
|