CHARMM-GUI DEER facilitator for spin-pair distance distribution calculations and preparation of restrained-ensemble molecular dynamics simulations

Yifei Qi, Jumin Lee, Xi Cheng, Rong Shen, Shahidul M. Islam, BenoƮt Roux, Wonpil Im. CHARMM-GUI DEER facilitator for spin-pair distance distribution calculations and preparation of restrained-ensemble molecular dynamics simulations. Journal of Computational Chemistry, 41(5):415-420, 2020. [doi]

Abstract

Abstract is missing.