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470 related items for PubMed ID: 18378442
1. Transition networks for modeling the kinetics of conformational change in macromolecules. Noé F, Fischer S. Curr Opin Struct Biol; 2008 Apr; 18(2):154-62. PubMed ID: 18378442 [Abstract] [Full Text] [Related]
2. Hierarchical analysis of conformational dynamics in biomolecules: transition networks of metastable states. Noé F, Horenko I, Schütte C, Smith JC. J Chem Phys; 2007 Apr 21; 126(15):155102. PubMed ID: 17461666 [Abstract] [Full Text] [Related]
5. Direct determination of reaction paths and stationary points on potential of mean force surfaces. Li G, Cui Q. J Mol Graph Model; 2005 Oct 21; 24(2):82-93. PubMed ID: 16005650 [Abstract] [Full Text] [Related]
11. Minimum free energy pathways and free energy profiles for conformational transitions based on atomistic molecular dynamics simulations. van der Vaart A, Karplus M. J Chem Phys; 2007 Apr 28; 126(16):164106. PubMed ID: 17477588 [Abstract] [Full Text] [Related]
14. Estimating kinetic rates from accelerated molecular dynamics simulations: alanine dipeptide in explicit solvent as a case study. de Oliveira CA, Hamelberg D, McCammon JA. J Chem Phys; 2007 Nov 07; 127(17):175105. PubMed ID: 17994855 [Abstract] [Full Text] [Related]
15. Exploring reaction pathways with transition path and umbrella sampling: application to methyl maltoside. Dimelow RJ, Bryce RA, Masters AJ, Hillier IH, Burton NA. J Chem Phys; 2006 Mar 21; 124(11):114113. PubMed ID: 16555880 [Abstract] [Full Text] [Related]
16. Energy landscapes: some new horizons. Wales DJ. Curr Opin Struct Biol; 2010 Feb 21; 20(1):3-10. PubMed ID: 20096562 [Abstract] [Full Text] [Related]
17. ETNA: equilibrium transitions network and Arrhenius equation for extracting folding kinetics from REMD simulations. Muff S, Caflisch A. J Phys Chem B; 2009 Mar 12; 113(10):3218-26. PubMed ID: 19231819 [Abstract] [Full Text] [Related]
19. Two-dimensional reaction free energy surfaces of catalytic reaction: effects of protein conformational dynamics on enzyme catalysis. Min W, Xie XS, Bagchi B. J Phys Chem B; 2008 Jan 17; 112(2):454-66. PubMed ID: 18085768 [Abstract] [Full Text] [Related]