Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences 论文

2020Journal of Chemical Information and Modeling引用 242
DOIPDF
Computational Drug Discovery MethodsChemical Synthesis and AnalysisCrystallography and molecular interactions
Computational Drug Discovery MethodsCrystallography and molecular interactionsChemical Synthesis and Analysis
相关技术:Computational Drug Discovery Methods
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Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences · 作者

S

Sereina Riniker

G

Gregory A. Landrum

J

Jagna Witek

S

Shuzhe Wang