PDB ID – not available
Antiviral evaluation of hydroxyethylamine analogs: Inhibitors of SARS-CoV-2 main protease (3CLpro), a virtual screening and simulation approach 3
6M03
Quantum biochemistry, molecular docking, and dynamics simulation revealed synthetic peptides induced conformational changes affecting the topology of the catalytic site of SARS-CoV-2 main protease 1
1HPV, 1S0R, 2QWK
Interactive molecular dynamics in virtual reality for accurate flexible protein-ligand docking 3
7BUY
Quantitative structure-activity relationships,molecular docking and molecular dynamicssimulations reveal drug repurposing candidates aspotent SARS-CoV-2 main protease inhibitors 2
4G8A
Combating tigecycline resistant Acinetobacter baumannii: A leap forward towards multi-epitope based vaccine discovery
3VOA
Effects of rhodomyrtone on Gram-positive bacterial tubulin homologue FtsZ
3W9J
Atomistic insight and modeled elucidation of conessine towards Pseudomonas aeruginosa efflux pump
1M17
Identification of Vinyl Sulfone Derivatives as EGFR Tyrosine Kinase Inhibitor: In Vitro and In Silico Studies
1YCR
Bibenzyl analogue DS-1 inhibits MDM2-mediated p53 degradation and sensitizes apoptosis in lung cancer cells
5GJ4
Binding recognition of substrates in NS2B/NS3 serine protease of Zika virus revealed by molecular dynamics simulations