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60 积分 2025-08-24 加入
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
29天前
已完结
MMP-Cliffs: Systematic Identification of Activity Cliffs on the Basis of Matched Molecular Pairs
1个月前
已完结
A Multistage Virtual Screening Strategy Integrating Molecular Similarity, Deep Learning Scoring, and Molecular Docking toward the Discovery of Novel LRRK2 Inhibitors
1个月前
已完结
Structure-based virtual screening, molecular dynamics and MM-PBSA/GBSA analysis for the identification of novel CDK6 inhibitors against prostate cancer
1个月前
已完结
In Silico-Enabled Discovery and Development of Potent and Selective CDK11 Inhibitors
1个月前
已完结
Discovery of benzo[d]oxazol-2(3H)-one derivatives as a new class of TNIK inhibitors for the treatment of colorectal cancer
2个月前
已完结
Computer-aided drug design in acute myeloid leukemia: a comprehensive review of advances, challenges, and future prospect
4个月前
已完结
Discovery of Putative GyrB Inhibitors against Mycobacterium tuberculosis: A Combined Virtual Screening and Experimental Study
6个月前
已完结
Investigating the unbinding mechanisms and kinetics of MmpL3 inhibitors: A computational study
6个月前
已完结
Benchmarking AI-powered docking methods from the perspective of virtual screening
6个月前
已完结
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