Receptor flexibility in small‐molecule docking calculations
Author:
Affiliation:
1. Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies (HITS gGmbH), Heidelberg, Germany
2. Karlsruhe Institute of Technology, Institute of Nanotechnology, Karlsruhe, Germany
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.29
Reference111 articles.
1. Molecular Movements Database. Protein structures showing different types of conformational change. Available at:http://www.molmovdb.org/cgi‐bin/browse.cgi. (Accessed February 4 2011).
2. Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go
3. Calculation of Protein-Ligand Binding Affinities
4. Target Flexibility: An Emerging Consideration in Drug Discovery and Design†
5. Simplified Computational Methods for the Analysis of Protein Flexibility
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