Adaptive simulations, towards interactive protein-ligand modeling
Author:
Publisher
Springer Science and Business Media LLC
Subject
Multidisciplinary
Link
http://www.nature.com/articles/s41598-017-08445-5.pdf
Reference44 articles.
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3. Orozco, M. A theoretical view of protein dynamics. Chem Soc Rev (2014).
4. De Vivo, M., Masetti, M., Bottegoni, G. & Cavalli, A. Role of Molecular Dynamics and Related Methods in Drug Discovery. J Med Chem 59, 4035–4061 (2016).
5. Shan, Y. et al. How Does a Drug Molecule Find Its Target Binding Site? JACS 133, 9181–9183 (2011).
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