New Soft-Core Potential Function for Molecular Dynamics Based Alchemical Free Energy Calculations

Gapsys, VytautasVytautasGapsysSeeliger, DanielDanielSeeligerde Groot, Bert L.Bert L.de Groot2021-03-052021-03-052012https://resolver.sub.uni-goettingen.de/purl?gro-2/80109enNew Soft-Core Potential Function for Molecular Dynamics Based Alchemical Free Energy Calculationsjournal_article10.1021/ct300220p