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Artificial reaction coordinate "tunneling" in free-energy calculations: The catalytic reaction of RNase H.

E. Rosta, H. III, B. Brooks, и G. Hummer. J. Comput. Chem., 30 (11): 1634-1641 (2009)

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Stephen Brooks

Christopher Brooks

Lane Brooks

Elliott Brooks

Marc Eric Brooks

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Prediction of CB8 host-guest binding free energies in SAMPL6 using the double-decoupling method.K. Han, P. Hudson, M. Jones, N. Nishikawa, F. Tofoleanu, и B. Brooks. J. Comput. Aided Mol. Des., 32 (10): 1059-1073 (2018)Web-Based Computational Chemistry Education with CHARMMing I: Lessons and Tutorial.B. Miller, R. Singh, V. Schalk, Y. Pevzner, J. Sun, C. Miller, S. Boresch, T. Ichiye, B. Brooks, и H. III. PLoS Comput. Biol., (2014)Artificial reaction coordinate "tunneling" in free-energy calculations: The catalytic reaction of RNase H.E. Rosta, H. III, B. Brooks, и G. Hummer. J. Comput. Chem., 30 (11): 1634-1641 (2009)A Truncated Newton Minimizer Adapted for CHARMM and Biomolecular Applications.P. Derreumaux, G. Zhang, T. Schlick, и B. Brooks. J. Comput. Chem., 15 (5): 532-552 (1994)Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in the SAMPL5 challenge.G. König, F. IV, J. Huang, A. Simmonett, F. Tofoleanu, J. Lee, P. Dral, S. Prasad, M. Jones, Y. Shao и 2 other автор(ы). J. Comput. Aided Mol. Des., 30 (11): 989-1006 (2016)Harmonic analysis of large systems. I. MethodologyB. Brooks, D. Jane&zcaron;i&ccaron;, и M. Karplus. J. Comput. Chem., 16 (12): 1522--1542 (1995)Partition coefficients for the SAMPL5 challenge using transfer free energies.M. Jones, B. Brooks, и A. Wilson. J. Comput. Aided Mol. Des., 30 (11): 1129-1138 (2016)An improved method for nonbonded list generation: Rapid determination of near-neighbor pairs.R. Petrella, I. Andricioaei, B. Brooks, и M. Karplus. J. Comput. Chem., 24 (2): 222-231 (2003)The distributed diagonal force decomposition method for parallelizing molecular dynamics simulations.U. Borstnik, B. Miller, B. Brooks, и D. Janezic. J. Comput. Chem., 32 (14): 3005-3013 (2011)Modeling Of Macromolecular Assemblies with Map Objects.X. Wu, и B. Brooks. BIOCOMP, стр. 411-420. CSREA Press, (2007)

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