Showing results (51-60 of 91) with videos related to
Sort By:
Pageof 10
Physical Chemistry Chemical Physics : PCCP|May 23, 2018
Assessing the performance of MM/PBSA and MM/GBSA methods. 7. Entropy effects on the performance of end-point binding free energy calculation approachesHuiyong Sun, Lili Duan, Fu Chen, et al.Journal of Medicinal Chemistry|January 9, 2025
Improving the Reliability of Language Model-Predicted Structures as Docking Targets through Geometric Graph LearningChao Shen, Xiaoqi Han, Heng Cai, et al.Journal of Cheminformatics|December 12, 2022
ReMODE: a deep learning-based web server for target-specific drug designMingyang Wang, Jike Wang, Gaoqi Weng, et al.Scientific Reports|November 17, 2015
Discovery of Novel ROCK1 Inhibitors via Integrated Virtual Screening Strategy and BioassaysMingyun Shen, Sheng Tian, Peichen Pan, et al.Molecular Biosystems|April 4, 2013
Discovery of Rho-kinase inhibitors by docking-based virtual screeningMingyun Shen, Huidong Yu, Youyong Li, et al.Chemical Science|August 4, 2023
A generalized protein-ligand scoring framework with balanced scoring, docking, ranking and screening powersChao Shen, Xujun Zhang, Chang-Yu Hsieh, et al.Nature Communications|May 4, 2023
Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure maskingZhenxing Wu, Jike Wang, Hongyan Du, et al.Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|March 6, 2025
A Knowledge-Guided Graph Learning Approach Bridging Phenotype- and Target-Based Drug DiscoveryQing Ye, Yundian Zeng, Linlong Jiang, et al.Journal of Medicinal Chemistry|July 20, 2023
FFLOM: A Flow-Based Autoregressive Model for Fragment-to-Lead OptimizationJieyu Jin, Dong Wang, Guqin Shi, et al.Research (Washington, D.C.)|August 12, 2022
Proteome-Wide Profiling of the Covalent-Druggable Cysteines with a Structure-Based Deep Graph Learning NetworkHongyan Du, Dejun Jiang, Junbo Gao, et al.Pageof 10