Prasad, S., Huang, J., Zeng, Q., Brooks, BR., 2018, An explicit-solvent hybrid QM and MM approach for predicting pKa of smallmolecules in SAMPL6 challenge, J Comput Aided Mol Des. 32(10):1191-1201, PMID: 30276503. PubMed
Prasad, S., Huang, J., Zeng, Q., Brooks, BR., 2018, An explicit-solvent hybrid QM and MM approach for predicting pKa of smallmolecules in SAMPL6 challenge, J Comput Aided Mol Des. 32(10):1191-1201, PMID: 30276503. PubMed