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Journal of Chemical Information and Modeling
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October 13, 2025
Allosteric Cooperativity Mechanism Investigation of Orthosteric and Allosteric Ligands in Modulating AR Activity: A Molecular Dynamics Study
Xiaotian Kong, Yushan Zou, Peng Cao, et al.
Oncotargets and Therapy
|
January 11, 2020
Identification of an Activating Mutation in the Extracellular Domain of HER2 Conferring Resistance to Pertuzumab
Ying Zhang, Shanshan Wu, Xinlei Zhuang, et al.
Molecular Biosystems
|
April 4, 2013
Discovery of Rho-kinase inhibitors by docking-based virtual screening
Mingyun Shen, Huidong Yu, Youyong Li, et al.
Research (Washington, D.C.)
|
August 21, 2025
S<sup>2</sup>ALM: Sequence-Structure Pre-trained Large Language Model for Comprehensive Antibody Representation Learning
Mingze Yin, Hanjing Zhou, Jialu Wu, et al.
Health Data Science
|
December 20, 2024
Multi-Modal CLIP-Informed Protein Editing
Mingze Yin, Hanjing Zhou, Yiheng Zhu, et al.
Chemical Science
|
August 4, 2023
A generalized protein-ligand scoring framework with balanced scoring, docking, ranking and screening powers
Chao 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 masking
Zhenxing Wu, Jike Wang, Hongyan Du, et al.
Journal of Medicinal Chemistry
|
June 17, 2022
RELATION: A Deep Generative Model for Structure-Based De Novo Drug Design
Mingyang Wang, Chang-Yu Hsieh, Jike Wang, et al.
The Journal of Physical Chemistry Letters
|
June 16, 2025
LumiCharge: Spherical Harmonic Convolutional Networks for Atomic Charge Prediction in Drug Discovery
Qun Su, Hui Zhang, Qiaolin Gou, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
March 6, 2025
A Knowledge-Guided Graph Learning Approach Bridging Phenotype- and Target-Based Drug Discovery
Qing Ye, Yundian Zeng, Linlong Jiang, et al.
Page
of 47
Search research articles
Search
Showing results (341-350 of 464) with videos related to
Sort By:
Page
of 47
Journal of Chemical Information and Modeling
|
October 13, 2025
Allosteric Cooperativity Mechanism Investigation of Orthosteric and Allosteric Ligands in Modulating AR Activity: A Molecular Dynamics Study
Xiaotian Kong, Yushan Zou, Peng Cao, et al.
Oncotargets and Therapy
|
January 11, 2020
Identification of an Activating Mutation in the Extracellular Domain of HER2 Conferring Resistance to Pertuzumab
Ying Zhang, Shanshan Wu, Xinlei Zhuang, et al.
Molecular Biosystems
|
April 4, 2013
Discovery of Rho-kinase inhibitors by docking-based virtual screening
Mingyun Shen, Huidong Yu, Youyong Li, et al.
Research (Washington, D.C.)
|
August 21, 2025
S<sup>2</sup>ALM: Sequence-Structure Pre-trained Large Language Model for Comprehensive Antibody Representation Learning
Mingze Yin, Hanjing Zhou, Jialu Wu, et al.
Health Data Science
|
December 20, 2024
Multi-Modal CLIP-Informed Protein Editing
Mingze Yin, Hanjing Zhou, Yiheng Zhu, et al.
Chemical Science
|
August 4, 2023
A generalized protein-ligand scoring framework with balanced scoring, docking, ranking and screening powers
Chao 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 masking
Zhenxing Wu, Jike Wang, Hongyan Du, et al.
Journal of Medicinal Chemistry
|
June 17, 2022
RELATION: A Deep Generative Model for Structure-Based De Novo Drug Design
Mingyang Wang, Chang-Yu Hsieh, Jike Wang, et al.
The Journal of Physical Chemistry Letters
|
June 16, 2025
LumiCharge: Spherical Harmonic Convolutional Networks for Atomic Charge Prediction in Drug Discovery
Qun Su, Hui Zhang, Qiaolin Gou, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
March 6, 2025
A Knowledge-Guided Graph Learning Approach Bridging Phenotype- and Target-Based Drug Discovery
Qing Ye, Yundian Zeng, Linlong Jiang, et al.
Page
of 47