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Comparison of three enveloping distribution sampling Hamiltonians for the estimation of multiple free energy differences from a single simulation., and . J. Comput. Chem., 30 (11): 1664-1679 (2009)Reversible peptide folding: Dependence on molecular force field used., and . J. Comput. Chem., 21 (9): 774-787 (2000)Calculation of binding free energies of inhibitors to plasmepsin II., , , , and . J. Comput. Chem., 32 (9): 1801-1812 (2011)Algorithms for Clustering Molecular Dynamics Confogurations., and . J. Comput. Chem., 15 (12): 1331-1340 (1994)Achieving Super Computer Performance with a DSP Array Processor., , , , , , , , and . SC, page 543-550. IEEE Computer Society, (1992)A novel approach for designing simple point charge models for liquid water with three interaction sites., , and . J. Comput. Chem., 24 (9): 1087-1096 (2003)Practical Aspects of Free-Energy Calculations: A Review, and . Journal of Chemical Theory and Computation, 10 (7): 2632-2647 (July 2014)Methods for Classical-Mechanical Molecular Simulation in Chemistry: Achievements, Limitations, Perspectives., and . J. Chem. Inf. Model., 64 (16): 6281-6304 (2024)Reoptimized interaction parameters for the peptide-backbone model compound N-methylacetamide in the GROMOS force field: Influence on the folding properties of two beta-peptides in methanol., , , , , and . J. Comput. Chem., 33 (24): 1907-1917 (2012)Thermodynamic cycle integration by computer simulation as a tool for obtaining free energy differences in molecular chemistry., and . J. Comput. Aided Mol. Des., 1 (2): 171-176 (1987)