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A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge., , , , , , , , , and . Journal of Computer-Aided Molecular Design, 31 (1): 29-44 (2017)A grid-based algorithm in conjunction with a gaussian-based model of atoms for describing molecular geometry., , and . Journal of Computational Chemistry, 40 (12): 1290-1304 (2019)BEDAM binding free energy predictions for the SAMPL4 octa-acid host challenge., , , , , , , , , and 3 other author(s). Journal of Computer-Aided Molecular Design, 29 (4): 315-325 (2015)Prediction of SAMPL3 host-guest affinities with the binding energy distribution analysis method (BEDAM)., and . Journal of Computer-Aided Molecular Design, 26 (5): 505-516 (2012)Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge., , , , , , , , and . Journal of Computer-Aided Molecular Design, 28 (4): 475-490 (2014)The Rutgers Computational Grid: A Distributed Linux PC Cluster., , , , and . Cluster Computing, 6 (3): 267-278 (2003)A framework for flexible and scalable replica-exchange on production distributed CI., , , , , , , , , and 1 other author(s). XSEDE, page 26:1-26:8. ACM, (2013)Asynchronous replica exchange software for grid and heterogeneous computing., , , , , , and . Comput. Phys. Commun., (2015)Relative Binding Free Energy Calculations for Ligands with Diverse Scaffolds with the Alchemical Transfer Method., , , , and . J. Chem. Inf. Model., 62 (2): 309-323 (2022)Large scale free energy calculations for blind predictions of protein-ligand binding: the D3R Grand Challenge 2015., , , , , , , , and . Journal of Computer-Aided Molecular Design, 30 (9): 743-751 (2016)