Eva Darian

CHARMM general force field: A force field for drug‐like molecules compatible with the CHARMM all‐atom additive biological force fields

Alexander D. MacKerell, Sibsankar Kundu, Chayan Acharya, 2009, J. Comput. Chem..

Nearest‐neighbor nonparametric method for estimating the configurational entropy of complex molecules

Harshinder Singh, Vladimir Hnizdo, Adam Fedorowicz, 2007, J. Comput. Chem..

Estimation of the absolute internal‐rotation entropy of molecules with two torsional degrees of freedom from stochastic simulations

Harshinder Singh, Vladimir Hnizdo, Adam Fedorowicz, 2005, J. Comput. Chem..

Structural mechanism associated with domain opening in gain‐of‐function mutations in SHP2 phosphatase

Alexander D. MacKerell, Olgun Guvench, Alexander D MacKerell, 2011, Proteins.