Q vertical bar R: quantum-based refinement

Zheng, M; Reimers, JR; Waller, MP; Afonine, PV

Waller, MP; Afonine, PV (reprint author), Shanghai Univ, Dept Phys, Shanghai 200444, Peoples R China.; Waller, MP; Afonine, PV (reprint author), Shanghai Univ, Int Ctr Quantum & Mol Struct, Shanghai 200444, Peoples R China.; Waller, MP (reprint author), W

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2017; 73 ( ): 45

Abstract

Quantum-based refinement utilizes chemical restraints derived from quantum-chemical methods instead of the standard parameterized library-based restra......

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