An explicit-solvent hybrid QM and MM approach for predicting pKa of small molecules in SAMPL6 challenge - researchr publication

researchr

You are not signed in
Sign in
Sign up

Samarjeet Prasad, Jing Huang 0004, Qiao Zeng, Bernard R. Brooks. An explicit-solvent hybrid QM and MM approach for predicting pKa of small molecules in SAMPL6 challenge. Journal of Computer-Aided Molecular Design, 32(10):1191-1201, 2018. [doi]

Abstract is missing.

runs on WebDSL