Challenges in the use of atomistic simulations to predict solubilities of drug-like molecules [version 1; referees: 2 approved]

by Guilherme Duarte Ramos Matos, David L. Mobley
Published 2018-05-01

Challenges in the use of atomistic simulations to predict solubilities of drug-like molecules [version 2; referees: 2 approved]

by Guilherme Duarte Ramos Matos, David L. Mobley
Published 2019-01-01

Liquid-like and rigid-body motions in molecular-dynamics simulations of a crystalline protein

by David C. Wych, James S. Fraser, David L. Mobley, Michael E. Wall
Published 2019-11-01

Benchmark assessment of molecular geometries and energies from small molecule force fields [version 1; peer review: 2 approved]

by Victoria T. Lim, David F. Hahn, Gary Tresadern, Christopher I. Bayly, David L. Mobley
Published 2020-12-01