机译:Including Electronic Screening in Classical Force Field of Zinc Ion for Biomolecular Simulations
Scuola Normale Super Pisa, Piazza Cavalieri 7, I-56126 Pisa, Italy;
IMT Sch Adv Studies Lucca, Piazza SFrancesco 19, I-55100 Lucca, Italy;
Russian Acad Sci, Engelhardt Inst Mol Biol, Moscow 119991, Russia;
Force field; metal ions; metalloenzyme; molecular dynamics; COMBINING RULES; METAL-CATIONS; FREE-ENERGY; PARAMETERS; SOLVATION; EFFICIENT; PROTEINS;