Родовые имена и «Уличные фамилии»: опыт исследования коммуникативного пространства Кенозерья и Помезенья

Lately, there has been great interest in performing free-energy perturbation (FEP) at the combined quantum mechanics and molecular mechanics (QM/MM) level, e.g. for enzyme reactions. Such calculations require extensive sampling of phase space, which typically is prohibitive with density-functional t... View More