Lv3
332 积分 2024-10-18 加入
Computational prediction of potential inhibitors for SARS-COV-2 main protease based on machine learning, docking, MM-PBSA calculations, and metadynamics
2天前
已完结
Probing molecular mechanism of inhibitor bindings to bromodomain-containing protein 4 based on molecular dynamics simulations and principal component analysis
2天前
已完结
Binding selectivity of inhibitors toward the first over the second bromodomain of BRD4: theoretical insights from free energy calculations and multiple short molecular dynamics simulations
2天前
已完结
Identification of potent BRD4‐BD1 inhibitors using classical and steered molecular dynamics based free energy analysis
2天前
已完结
Discovery of indole-2-one derivatives as BRD4 (BD1) selective inhibitors
2天前
已完结
Machine Learning Models Combined with Virtual Screening and Molecular Docking to Predict Human Topoisomerase I Inhibitors
5天前
已完结
Prediction of matrix metal proteinases-12 inhibitors by machine learning approaches
5天前
已完结
Virtual Screening and Discovery of Matrix Metalloproteinase‐12 Inhibitors by Swarm Intelligence Optimization Algorithm‐Based Machine Learning
5天前
已完结
Discovery of 4,5-dihydro-benzo[g]indazole-based hydroxamic acids as HDAC3/BRD4 dual inhibitors and anti-tumor agents
15天前
已完结
Dual HDAC/BRD4 Inhibitors Relieves Neuropathic Pain by Attenuating Inflammatory Response in Microglia After Spared Nerve Injury
15天前
已完结
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