TomkUCL SARS-CoV-2-Helicase-nsp13-Public-Antivirals-Virtual-Screening-Project issues - Githubissues

TomkUCL / SARS-CoV-2-Helicase-nsp13-Public-Antivirals-Virtual-Screening-Project

A repository for public suggestions towards SARS-COV-2 helicase antivirals using publicly-available software.

Apache License 2.0

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Useful Cheminformatics Python Scripts

#9 TomkUCL opened 1 month ago
1
Public Drug Design Ideas

#8 TomkUCL opened 6 months ago
0
Keep it (chemically) simple! A guide to design and virtual screening of combinatorial chemical libraries using free, open-source software.

#7 TomkUCL opened 7 months ago
6
Protein-Ligand Molecular Dynamics (MD) Simulations using GROMACS

#6 TomkUCL opened 8 months ago
13
Filtering docked poses to improve virtual-screening hit rates using LigGrep.

#5 TomkUCL opened 9 months ago
4
Running AutoDock Vina (rigid receptor)

#4 TomkUCL opened 9 months ago
6
Creating a Combinatorial Chemical Library based on Fragment-Protein Co-Crystal Structures in the PDB (FBDD) using Free, Open-Source Software (DataWarrior)

#3 TomkUCL opened 9 months ago
0
Using an open-source program (Gypsum-DL) for preparing small-molecule libraries for structure-based virtual screening

#2 TomkUCL opened 9 months ago
7
How to run an AutoDock Vina Virtual Screen against SARS-CoV-2 Helicase (Nsp13) at Home

#1 TomkUCL opened 9 months ago
6