Accurate macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum-mechanics program DivCon into the PHENIX refinement package

Accurate macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum-mechanics program DivCon into the PHENIX refinement package

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http://www.wikidata.org/entity/Q30577677
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

Accurate macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum-mechanics program DivCon into the PHENIX refinement package

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http://www.wikidata.org/entity/Q30577677
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2014 nî lūn-bûn
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2014 թուականի Ապրիլին հրատարակուած գիտական յօդուած
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2014 թվականի ապրիլին հրատարակված գիտական հոդված
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2014年の論文
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2014年論文
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2014年論文
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2014年論文
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2014年論文
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2014年論文
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2014年论文
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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
P1433
P1476
P2093
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Accurate macromolecular crysta ...... the PHENIX refinement package
@en
P2093
P2860
P304
P31
P356
P433
P478
P577
P698
P921
P932