Lead Generation and Optimization Based on Protein-Ligand Complementarity
نویسندگان
چکیده
منابع مشابه
Lead generation and optimization based on protein-ligand complementarity.
This work proposes a computational procedure for structure-based lead generation and optimization, which relies on the complementarity of the protein-ligand interactions. This procedure takes as input the known structure of a protein-ligand complex. Retaining the positions of the ligand heavy atoms in the protein binding site it designs structurally similar compounds considering all possible co...
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ژورنال
عنوان ژورنال: Molecules
سال: 2010
ISSN: 1420-3049
DOI: 10.3390/molecules15064382