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Energy minimization of protein tertiary structures by local search algorithm and parallel simulated annealing using genetic crossover., , , , and . IEEE Congress on Evolutionary Computation, page 1933-1940. IEEE, (2003)Multibaric-multithermal ensemble simulations for fluid systems, and . Physica A: Statistical Mechanics and its Applications, 350 (1): 150--158 (May 1, 2005)Towards the prediction of protein tertiary structures from first principles. Physica A: Statistical and Theoretical Physics, 254 (1-2): 7--14 (May 15, 1998)Implementation of replica-exchange umbrella sampling in the DFTB+ semiempirical quantum chemistry package., , and . Comput. Phys. Commun., (2016)Dependency of ligand free energy landscapes on charge parameters and solvent models., , and . J. Comput. Aided Mol. Des., 24 (8): 699-712 (2010)Multibaric-multithermal ensemble molecular dynamics simulations., and . J. Comput. Chem., 27 (3): 379-395 (2006)Molecular simulations in the multibaric-multithermal ensembles., and . Comput. Phys. Commun., 169 (1-3): 317-321 (2005)Origin of the kinetic HDAC2-selectivity of an HDAC inhibitor., , , , , , and . J. Comput. Chem., 44 (18): 1604-1609 (2023)Comparative study of multicanonical and simulated annealing algorithms in the protein folding problem, and . Physica A: Statistical and Theoretical Physics, 212 (3-4): 415--437 (Dec 15, 1994)Mega Process Genetic Algorithm Using Grid MP., , , and . LSGRID, volume 3370 of Lecture Notes in Computer Science, page 152-170. Springer, (2004)