Accurate macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum-mechanics program DivCon into the PHENIX refinement package
about
Recent Progress in Treating Protein-Ligand Interactions with Quantum-Mechanical MethodsXModeScore: a novel method for accurate protonation/tautomer-state determination using quantum-mechanically driven macromolecular X-ray crystallographic refinement.New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MMIdentification and Validation of a Potent Dual Inhibitor of the P. falciparum M1 and M17 Aminopeptidases Using Virtual ScreeningImproved ligand geometries in crystallographic refinement using AFITT in PHENIXThe Crystal Structure of Cytochrome P450 4B1 (CYP4B1) Monooxygenase Complexed with Octane Discloses Several Structural Adaptations for ω-Hydroxylation.Q|R: quantum-based refinement.Enhanced semiempirical QM methods for biomolecular interactions.Conformational energy range of ligands in protein crystal structures: The difficult quest for accurate understanding.Validation and correction of Zn-CysxHisy complexes.Structure, Function, and Inhibition of Staphylococcus aureus Heptaprenyl Diphosphate Synthase.Quantum crystallography.Protein-ligand cocrystal structures: we can do better.Solving the scalability issue in quantum-based refinement: Q|R#1.Validation of ligands in macromolecular structures determined by X-ray crystallography.Noncovalent interactions dominate dynamic heme distortion in cytochrome P450 4B1
P2860
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P2860
Accurate macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum-mechanics program DivCon into the PHENIX refinement package
description
2014 nî lūn-bûn
@nan
2014 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
2014 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
2014年の論文
@ja
2014年論文
@yue
2014年論文
@zh-hant
2014年論文
@zh-hk
2014年論文
@zh-mo
2014年論文
@zh-tw
2014年论文
@wuu
name
Accurate macromolecular crysta ...... the PHENIX refinement package
@ast
Accurate macromolecular crysta ...... the PHENIX refinement package
@en
type
label
Accurate macromolecular crysta ...... the PHENIX refinement package
@ast
Accurate macromolecular crysta ...... the PHENIX refinement package
@en
prefLabel
Accurate macromolecular crysta ...... the PHENIX refinement package
@ast
Accurate macromolecular crysta ...... the PHENIX refinement package
@en
P2093
P2860
P1476
Accurate macromolecular crysta ...... the PHENIX refinement package
@en
P2093
Joshua A Plumley
Kenneth M Merz
Lance M Westerhoff
Oleg Y Borbulevych
Roger I Martin
P2860
P304
P356
10.1107/S1399004714002260
P577
2014-04-26T00:00:00Z