Lv22
166 积分 2023-09-14 加入
Drug–target affinity prediction method based on multi-scale information interaction and graph optimization
39分钟前
待确认
A workflow for exploring ligand dissociation from a macromolecule: Efficient random acceleration molecular dynamics simulation and interaction fingerprint analysis of ligand trajectories
3小时前
已完结
Investigating the unbinding mechanisms and kinetics of MmpL3 inhibitors: A computational study
23小时前
已完结
Rational Design of CDK12/13 and BRD4 Molecular Glue Degraders
5天前
已完结
Improving Predictive Efficacy for Drug Resistance in Novel HIV-1 Protease Inhibitors through Transfer Learning Mechanisms
1个月前
已完结
Enhancing Molecular Property Prediction through Task-Oriented Transfer Learning: Integrating Universal Structural Insights and Domain-Specific Knowledge
1个月前
已完结
Applications of Transformers in Computational Chemistry: Recent Progress and Prospects
1个月前
已完结
Bioisostere Identification by Determining the Amino Acid Binding Preferences of Common Chemical Fragments
1个月前
已完结
Evaluation of a Semi-Automated Workflow for Fragment Growing
1个月前
已完结
Systematic mapping of R-group space enables the generation of an R-group replacement system for medicinal chemistry
1个月前
已完结
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