机译:包括在锌离子的经典力场中进行的电子筛选以进行生物分子模拟
Engelhardt Institute of Molecular Biology, Russian Academy of Sciences, Moscow 119991, Russia;
Scuola Normale Superiore, Piazza dei Cavalieri 7, 56126 Pisa, Italy Present address: IMT School for Advanced Studies Lucca, Piazza S.Francesco 19, Lucca 55100, Italy;
Molecular Dynamics; Electronic screening; Optimization ProcedureForcemetalloenzymemetal ionsZINC IONSfield theory (physics)aqueous solutions;