How to calculate pH-dependent binding rates for receptor–ligand systems based on thermodynamic simulations with different binding motifs
Author:
Affiliation:
1. Computational Drug Design, Zuse Institute Berlin, Berlin, Germany
2. Department of Mathematics and Computer Science, Freie Universität Berlin, Berlin, Germany
3. Computational Physiology and Anatomy, Zuse Institute Berlin, Berlin, Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
Informa UK Limited
Subject
Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modeling and Simulation,Information Systems,General Chemistry
Link
https://www.tandfonline.com/doi/pdf/10.1080/08927022.2020.1839660
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