載入...

Improved Estimation of Protein-Ligand Binding Free Energy by Using the Ligand-Entropy and Mobility of Water Molecules

We previously developed the direct interaction approximation (DIA) method to estimate the protein-ligand binding free energy (ΔG). The DIA method estimates the ΔG value based on the direct van der Waals and electrostatic interaction energies between the protein and the ligand. In the current study,...

全面介紹

Na minha lista:
書目詳細資料
Main Authors: Fukunishi, Yoshifumi, Nakamura, Haruki
格式: Artigo
語言:Inglês
出版: MDPI 2013
主題:
在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC3817721/
https://ncbi.nlm.nih.gov/pubmed/24276169
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ph6050604
標簽: 添加標簽
沒有標簽, 成為第一個標記此記錄!