Ulf Ryde and Valera Veryazov received grants from eSSENCE
Ulf RydeGrant: 600 000 SEK/ year, during 2 years.TitleDevelopment of methods to treat metal sites in ligand-binding calculationsAbstractCalculating accurate estimates for the binding affinity of small molecules (e.g. drug candidates) to a macromolecular receptor is one of the most important challenges of computational chemistry. The most promising approach is free-energy perturbation (FEP), which
https://www.compchem.lu.se/article/ulf-ryde-and-valera-veryazov-received-grants-essence - 2025-12-09
