Author of the publication

Prediction of SAMPL3 host-guest affinities with the binding energy distribution analysis method (BEDAM).

, and . J. Comput. Aided Mol. Des., 26 (5): 505-516 (2012)

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

Iterative sequence/secondary structure search for protein homologs: comparison with amino acid sequence alignments and application to fold recognition in genome databases., , , , and . Bioinform., 16 (11): 988-1002 (2000)Comparative Performance of Several Flexible Docking Programs and Scoring Functions: Enrichment Studies for a Diverse Set of Pharmaceutically Relevant Targets., , , and . Journal of Chemical Information and Modeling, 47 (4): 1599-1608 (2007)The SGB/NP hydration free energy model based on the surface generalized born solvent reaction field and novel nonpolar hydration free energy estimators., , and . J. Comput. Chem., 23 (5): 517-529 (2002)AGBNP: An analytic implicit solvent model suitable for molecular dynamics simulations and high-resolution modeling., and . J. Comput. Chem., 25 (4): 479-499 (2004)Erratum to: A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge., , , , , , , , , and . J. Comput. Aided Mol. Des., 31 (1): 45 (2017)The Rutgers Computational Grid Based on Linux PC Cluster., , , and . PPSC, (2001)Structure-based virtual screening workflow to identify antivirals targeting HIV-1 capsid., , , , , , , , , and 1 other author(s). J. Comput. Aided Mol. Des., 36 (3): 193-203 (2022)Improving Prediction Accuracy of Binding Free Energies and Poses of HIV Integrase Complexes Using the Binding Energy Distribution Analysis Method with Flattening Potentials., , and . J. Chem. Inf. Model., 58 (7): 1356-1371 (2018)Salsa: Scalable Asynchronous Replica Exchange for Parallel Molecular Dynamics Applications., , , and . ICPP, page 127-134. IEEE Computer Society, (2006)Absolute Protein Binding Free Energy Simulations for Ligands with Multiple Poses, a Thermodynamic Path That Avoids Exhaustive Enumeration of the Poses., , , and . J. Comput. Chem., 41 (1): 56-68 (2020)