Interactive essential dynamics

Journal of Computer-Aided Molecular Design

Volumn 18, Issue 6, 2004, Pages 433-436

  Mongan, John ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Essential dynamics; Graphical user interface; Interactive; Molecular dynamics; Principal component analysis; Visualization

Indexed keywords

EIGENVALUES AND EIGENFUNCTIONS; GRAPHICAL USER INTERFACES; MOLECULAR DYNAMICS; VISUALIZATION;

'CURRENT; ARBITRARY SETS; ESSENTIAL DYNAMICS; GRAPHICAL INTERFACE; INTERACTIVE; PRINCIPAL-COMPONENT ANALYSIS;

PRINCIPAL COMPONENT ANALYSIS;

ANALYTIC METHOD; ARTICLE; CHEMICAL STRUCTURE; COMPUTER GRAPHICS; COMPUTER INTERFACE; COMPUTER PROGRAM; COMPUTER SIMULATION; IMAGE DISPLAY; MATHEMATICAL PARAMETERS; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN FUNCTION;

EID: 11244269735     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10822-004-4121-z     Document Type: Article

References (15)

1. Shen, T., Tai, K. Henchman, R.H. and McCammon, J.A., Acc. Chem. Res., 35 (2002) 332.
2. Amadei, A., Linssen, A.B.M. and Berendsen, H.J.C., Proteins: Struct. Funct. Genet., 17 (1993) 412.
3. García, A.E., Phys. Rev. Lett., 68 (1992) 2696.
4. Hamelberg, D., Mongan, J. and McCammon, J.A., J. Chem. Phys., 120 (2004) 11919.
5. de Groot, B.L., Daura, X., Mark, A.E. and Grubmuller, H., J. Mol. Biol., 309 (2001) 299.
6. Xiong, B., Huang, X.Q., Shen, L.L., Shen, J.H., Luo, X.M., Shen, X., Jiang, H.L. and Chen, K.X., Acta Pharmacol. Sin., 25 (2004) 705.
7. Lee, J., Suh, S.W. and Shin, S., J. Biomol. Struct. Dyn., 18 (2000) 297.
8. Crabbe, M.J., Cooper, L.R. and Corne, D.W., Comput. Biol. Chem., 27 (2003) 507.
9. Arcangeli, C., Bizzarri, A.R. and Cannistraro, S., Biophys. Chem., 90 (2001) 45.
10. Lindahl, E., Hess, B. and van der Spoel, D., J. Mol. Model., 7 (2001) 306.
11. Vriend, G., J. Mol. Graph., 8 (1990) 52.
12. Kendall, R.A., Apra, E., Bernholdt, D.E., Bylaska, E.J., Dupius, M., Fann, G.I., Harrison, R.J., Ju, J., Nichols, J.A., Nieplocha, J., Straatsma, T.P., Windus, T.L. and Wong, A.T., Comput. Phys. Commun., 128 (2000) 260.
13. Case, D., Darden, T., Cheatham III, T.E., Simmerling, C., Wang, J., Duke, R., Luo, R., Merz, K., Wang, B., Pearlman, D., Crowley, M., Brozell, S., Tsui, V., Gohlke, H., Mongan, J., Hornak, V., Cui, G., Beroza, P., Schafmeister, C., Caldwell, J., Ross, W. and Kollman, P., AMBER 8, 2004.
14. Huitema, H. and van Liere, R., IEEE Visualization 2000 Proceedings 11, 2000.
15. Humphrey, W., Dalke, A. and Schulten, K., J. Mol. Graph., 14 (1996) 33.