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资源简介：
Virtual Screening campaign against main protease of SARS-CoV-2 using rDock and pharmacophoric filtering.<br>
应用场景：
创建时间：
2020-04-29
相关数据集
Fab RVFV-268
Fab RVFV-268 Descriptor: CITRIC ACID, Heavy chain Fab268, Light chain Fab268 Authors: Hulswit, R.J.G, Bowden, T.A, Stass, R. Deposit date: 2022-08-30 Release date: 2023-09-06 Last modified: 2026-03-04
Protein Data Bank Japan2026-03-04 更新50
ROSHAMBO2: Accelerating Molecular Alignment for Large Chemical Libraries with GPU Optimization and Algorithmic Advances
Molecular alignment and 3D similarity are crucial tasks in computational drug discovery, enabling applications such as virtual screening and pharmacophore modeling. ROSHAMBO, an open-source package fo
Figshare2025-09-24 更新30
PanDDA analysis group deposition -- SARS-CoV-2 Nsp1 crystal B11 (dataset 1) from the KIT library screening campaign, data used for ground state calculation
PanDDA analysis group deposition -- SARS-CoV-2 Nsp1 crystal B11 (dataset 1) from the KIT library screening campaign, data used for ground state calculation
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PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z645232558
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z645232558
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Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0036444-001 (A71EV2A-x4606)
Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-00364
Protein Data Bank Japan2025-04-09 更新00
