Gregory A Ross

Gregory A Ross

Schrodinger LLC - - / United States
Natural Sciences / Molecular Biology & Genetics
AD Scientific Index ID: 4523037
-
person_outline Gregory A Ross's MOST POPULAR ARTICLES
1-) OPLS4: Improving force field accuracy on challenging regimes of chemical spaceC Lu, C Wu, D Ghoreishi, W Chen, L Wang, W Damm, GA Ross, ...Journal of chemical theory and computation 17 (7), 4291-4300, 20217292021
2-) Rapid and accurate prediction and scoring of water molecules in protein binding sitesGA Ross, GM Morris, PC BigginPloS one 7 (3), e32036, 20122072012
3-) Water sites, networks, and free energies with grand canonical Monte CarloGA Ross, MS Bodnarchuk, JW EssexJournal of the American Chemical Society 137 (47), 14930-14943, 20151192015
4-) Biomolecular simulations under realistic macroscopic salt conditionsGA Ross, AS Rustenburg, PB Grinaway, J Fass, JD ChoderaThe Journal of Physical Chemistry B 122 (21), 5466-5486, 2018952018
5-) Binding modes of ligands using enhanced sampling (BLUES): rapid decorrelation of ligand binding modes via nonequilibrium candidate Monte CarloSC Gill, NM Lim, PB Grinaway, AS Rustenburg, J Fass, GA Ross, ...The Journal of Physical Chemistry B 122 (21), 5579-5598, 2018812018