טוען...
Combined Linear Interaction Energy and Alchemical Solvation Free-Energy Approach for Protein-Binding Affinity Computation
[Image: see text] Calculating free energies of binding (ΔG(bind)) between ligands and their target protein is of major interest to drug discovery and safety, yet it is still associated with several challenges and difficulties. Linear interaction energy (LIE) is an efficient in silico method for ΔG(b...
שמור ב:
| הוצא לאור ב: | J Chem Theory Comput |
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| Main Authors: | , , , |
| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
American
Chemical Society
2020
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| גישה מקוונת: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7017367/ https://ncbi.nlm.nih.gov/pubmed/31894691 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.9b00890 |
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