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Adventures in Improving the Scaling and Accuracy of a Parallel Molecular Dynamics Program., , , и . J. Supercomput., 11 (3): 255-278 (1997)Message-passing neural networks for high-throughput polymer screening., , , , , , и . CoRR, (2018)The implementation of a fast and accurate QM/MM potential method in Amber., , и . J. Comput. Chem., 29 (7): 1019-1031 (2008)The Energy Landscape for the Interaction of the Family 1 Carbohydrate-Binding Module and the Cellulose Surface is Altered by Hydrolyzed Glycosidic Bonds, , , , , , , , и . The Journal of Physical Chemistry B, 113 (31): 10994-11002 (2009)PMID: 19594145.Experimental and theoretical studies of a coupled chemical oscillator: phase death, multistability and in-phase and out-of-phase entrainment, и . The Journal of Physical Chemistry, 93 (6): 2496-2502 (1989)Studying protein folding on the Grid: experiences using CHARMM on NPACI resources under Legion., , , , , , и . Concurr. Comput. Pract. Exp., 16 (4): 385-397 (2004)New faster CHARMM molecular dynamics engine., и . J. Comput. Chem., 35 (5): 406-413 (2014)Particle-Mesh Based Methods for Fast Ewald Summation in Molecular Dynamics Simulations., , , , и . PPSC, SIAM, (1997)Molecular modeling suggests induced fit of Family I carbohydrate-binding modules with a broken-chain cellulose surface, , , , , , , , , и . Protein Engineering, Design and Selection, 20 (4): 179-187 (2007)Coarse-Grain Model for Glucose, Cellobiose, and Cellotetraose in Water, , , , и . Journal of Chemical Theory and Computation, 7 (7): 2137-2150 (2011)