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Site Identification by Ligand Competitive Saturation (SILCS) Simulations for Fragment-Based Drug Design

Fragment-based drug design (FBDD) involves screening low molecular weight molecules (“fragments”) that correspond to functional groups found in larger drug-like molecules to determine their binding to target proteins or nucleic acids. Based on the principle of thermodynamic additivity, two fragments...

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Pubblicato in:Methods Mol Biol
Autori principali: Faller, Christina E., Raman, E. Prabhu, MacKerell, Alexander D., Guvench, Olgun
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2015
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC4685950/
https://ncbi.nlm.nih.gov/pubmed/25709034
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/978-1-4939-2486-8_7
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