Design and SAR Analysis of Covalent Inhibitors Driven by Hybrid QM/MM Simulations
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Publisher
Springer US
Link
http://link.springer.com/content/pdf/10.1007/978-1-0716-0282-9_19
Reference142 articles.
1. Copeland RA (2016) The drug-target residence time model: a 10-year retrospective. Nat Rev Drug Discov 15:87–95
2. Tonge P (2018) Drug-target kinetics in drug discovery. ACS Chem Neurosci 9:29–39
3. Nunez S, Venhorst J, Kruse CG (2012) Target-drug interactions: first principles and their application to drug discovery. Drug Discov Today 17:10–22
4. Copeland RA, Pompliano DL, Meek TD (2006) Drug-target residence time and its implications for lead optimization. Nat Rev Drug Discov 5:730–739
5. Vauquelin G, Charlton SJ (2010) Long-lasting target binding and rebinding as mechanisms to prolong in vivo drug action. Br J Pharmacol 161:488–508
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