URL: https://pubs.acs.org/doi/10.1021/acs.jctc.0c00925
Authors: Municoy, Martí / Roda, Sergi / Soler, Daniel / Soutullo, Alberto / Guallar, Victor
Research Lines: eDrug: interactive drug design / PELE: Monte Carlo methods for protein/DNA-ligand interactions
Publication: Journal of Chemical Theory and Computation
Volume / Number / Pagination: 16 / 12 / 7655 - 7670
Paraules clau: binding modes, Crystallography, Ligands, cluster chemistry, molecules