Nanjie Deng

Absolute Protein Binding Free Energy Simulations for Ligands with Multiple Poses, a Thermodynamic Path That Avoids Exhaustive Enumeration of the Poses

Bin W Zhang, Ronald M Levy, Bin W. Zhang, 2020, J. Comput. Chem..

Kinetic network study of the diversity and temperature dependence of Trp-Cage folding pathways: combining transition path theory with stochastic simulations.

Michael Andrec, Emilio Gallicchio, Ronald M Levy, 2011, The journal of physical chemistry. B.

Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease

Arthur J. Olson, Lauren Wickstrom, Stefano Forli, 2014, The journal of physical chemistry. B.

Comparing alchemical and physical pathway methods for computing the absolute binding free energy of charged ligands.

Bin W Zhang, Junchao Xia, Bin W. Zhang, 2018, Physical chemistry chemical physics : PCCP.