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Biological and Medicinal Chemistry

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Binding Pose

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5 results in Keywords: Binding Pose

Physical Chemistry

SAMPL6 Host-Guest Binding Affinities and Binding Poses from Spherical-Coordinates-Biased Simulations

Zhaoxi Sun, Qiaole He, Xiao Li, Zhengdan Zhu

Version 2 posted 21 January 2020

739

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Biological and Medicinal Chemistry

CANDOCK: Chemical Atomic Network Based Hierarchical Flexible Docking Algorithm Using Generalized Statistical Potentials

Jonathan Fine, Janez Konc, Ram Samudralal, Gaurav Chopra

Version 1 posted 15 October 2018

587

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1

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Theoretical and Computational Chemistry

Synergistic Application of Molecular Docking and Machine Learning for Improved Protein-Ligand Binding Pose Prediction

He Yang, Hongrui Lin, Yannan Yuan, Yaqi Li, Rongfeng Zou, Gengmo Zhou, Linfeng Zhang, Hang Zheng

Version 1 posted 11 September 2023

699

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Biological and Medicinal Chemistry

Primary vs Secondary: Directionalized Guest Coordination in β-Cyclodextrin Derivatives

Zhaoxi Sun, Lei Zheng, Kai Wang, Zhe Huai, Zhirong Liu

Version 1 posted 22 June 2022

315

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1

Citations

Biological and Medicinal Chemistry

tinyIFD: A High-throughput Binding Pose Refinement Workflow Through Induced-fit Ligand Docking

Darren J. Hsu, Russell B. Davidson, Jens Glaser

Version 1 posted 13 December 2022

331

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