Structure based virtual screening: Fast and slow
Author:
Affiliation:
1. Acellera Labs Barcelona Spain
2. Computational Science Laboratory Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB) Barcelona Spain
3. Institució Catalana de Recerca i Estudis Avançats (ICREA) Barcelona Spain
Funder
H2020 Research Infrastructures
Ministerio de Economía y Competitividad
Publisher
Wiley
Subject
Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1544
Reference136 articles.
1. A Virtual Screening Approach Applied to the Search for Trypanothione Reductase Inhibitors
2. Improved protein-ligand docking using GOLD
3. PELE: Protein Energy Landscape Exploration. A Novel Monte Carlo Based Technique
4. An overview of molecular fingerprint similarity search in virtual screening
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