A Molecular Mechanics Energy Partitioning Software for Biomolecular Systems

Fernandes, HS; Cerqueira, NMFSA; Sousa, SF; Melo, A

Melo, A (通讯作者),Univ Porto, Fac Ciencias, Rua Campo Alegre 1021 1055, P-4169007 Porto, Portugal.

MOLECULES, 2022; 27 (17):

Abstract

The partitioning of the molecular mechanics (MM) energy in calculations involving biomolecular systems is important to identify the source of major st......

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