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HackaMol: An Object-Oriented Modern Perl Library for Molecular Hacking on Multiple Scales., , , и . Journal of Chemical Information and Modeling, 55 (4): 721-726 (2015)Computing Best Transition Pathways in High-Dimensional Dynamical Systems: Application to the AlphaL Beta AlphaR Transitions in Octaalanine., , , , и . Multiscale Modeling & Simulation, 5 (2): 393-419 (2006)Impact of Resistance Mutations on Inhibitor Binding to HIV-1 Integrase., , , , , , и . Journal of Chemical Information and Modeling, 53 (12): 3297-3307 (2013)Machine Learning in Early Genetic Detection of Multiple Sclerosis Disease: A Survey, , , , , и . J. Comput. Chem., 29 (9): 1429-1439 (2008)GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit., , , , , , , , , и 2 other автор(ы). Bioinform., 29 (7): 845-854 (2013)Can the calculation of ligand binding free energies be improved with continuum solvent electrostatics and an ideal-gas entropy correction?., , , и . J. Comput. Chem., 23 (12): 1143-1149 (2002)VinaMPI: Facilitating multiple receptor high-throughput virtual docking on high-performance computers., , и . J. Comput. Chem., 34 (25): 2212-2221 (2013)Highly Interactive, Steered Scientific Workflows on HPC Systems: Optimizing Design Solutions., , , и . ISC Workshops, том 11887 из Lecture Notes in Computer Science, стр. 514-527. Springer, (2019)Tri-peptide reference structures for the calculation of relative solvent accessible surface area in protein amino acid residues., и . Comput. Biol. Chem., (2015)REACH: A program for coarse-grained biomolecular simulation., и . Comput. Phys. Commun., 180 (7): 1188-1195 (2009)