koushik kasavajhala

koushik kasavajhala

Senior Scientist II, Schrödinger
Email verificata su schrodinger.com
Citato da 18535
Enhanced Sampling Methods Force Fields Solvent Models Protein Folding AI/ML in Drug Discovery
Manuel F. Ruiz-Lopez

Manuel F. Ruiz-Lopez

University of Lorraine, CNRS
Email verificata su univ-lorraine.fr
Citato da 9547
Theoretical chemistry solvent models liquid interfaces QM/MM methods
Elias Van Den Broeck

Elias Van Den Broeck

Ugent, CMM
Email verificata su ugent.be
Citato da 302
Transition state theory dispersion interactions computational organic chemistry Molecular dynamics solvent models