Danial S. Dashti

发表

Prediction of trypsin/molecular fragment binding affinities by free energy decomposition and empirical scores

Zheng Zheng, Kenneth M. Merz, John C. Faver, 2012, Journal of Computer-Aided Molecular Design.

DEVELOPING AND OPTIMIZING THE REPLICA EXCHANGE-BASED FREE ENERGY METHODS

Danial S. Dashti, Danial Sabri Dashti, 2013 .

Computing Alchemical Free Energy Differences with Hamiltonian Replica Exchange Molecular Dynamics (H-REMD) Simulations.

Danial S. Dashti, A. Roitberg, Yilin Meng, 2011, Journal of chemical theory and computation.

Pairwise additivity of energy components in protein-ligand binding: the HIV II protease-Indinavir case.

Kenneth M Merz, John C Faver, Danial S. Dashti, 2011, The Journal of chemical physics.