Search

Categories

Biological and Medicinal Chemistry

(4)

Physical Chemistry

(1)

Polymer Science

(1)

Theoretical and Computational Chemistry

(4)

Content Types

Working Paper

(5)

Published Date

Over 3 years

(2)

Last 3 years

(3)

Keywords

binding pose

Authors

5 results in Keywords: binding pose

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

582

Downloads

1

Citations

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

297

Downloads

1

Citations

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

683

Downloads

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

731

Downloads

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

328

Downloads