Alchemical Free Energy Calculations to Investigate Protein-Protein Interactions: the Case of the CDC42/PAK1 Complex.

Sat, 01 Jan 2022 00:00:00 +0100

Maria Antonietta La Serra , Pietro Vidossich, Isabella Acquistapace , Anand K. Ganesan , Marco de Vivo :
Alchemical Free Energy Calculations to Investigate Protein-Protein Interactions: the Case of the CDC42/PAK1 Complex. J. Chem. Inf. Model. 62(12): 3023-3033 (2022)