Free Energy Estimation
Published:
SILCS is a molecular docking technique developed by Alexander D. MacKerell Jr. and group. It combines molecular dynamics and Monte Carlo techniques to calculate grid free energy of a range of chemically diverse ligands. SILCS approach results into SILCS FragMaps representative of LGFE of basic ligand types. These FragMaps can then be used for designing drugs which show maximum affinity of binding. This is an ongoing project, the details of which will soon be released on the website.