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Optimization and Evaluation of the Site-Identification by Ligand Competitive Saturation (SILCS) as a Tool for Target-Based Ligand Optimization.

Chemical fragment cosolvent sampling techniques have become a versatile tool in ligand-protein binding prediction. Site-Identification by Ligand Competitive Saturation (SILCS) is one such method that maps the distribution of chemical fragments on a protein as free energy fields called FragMaps. Liga...

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Bibliografische gegevens
Gepubliceerd in:J Chem Inf Model
Hoofdauteurs: Ustach, Vincent D., Lakkaraju, Sirish Kaushik, Jo, Sunhwan, Yu, Wenbo, Jiang, Wenjuan, MacKerell, Alexander D.
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: 2019
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Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6597307/
https://ncbi.nlm.nih.gov/pubmed/31034213
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.9b00210
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