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[Pdb2pqr-announce] Contribution of key residue to binding free energy
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From: Yingzhe L. <yin...@gm...> - 2012-03-01 02:05:43
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Dear all, recently, I have calculated the binding free energy between a protein and a ligand employing MM-PBSA method. The salvation energy was obtained from APBS. However, I want to the contribution of some key residues to binding free energy, what to setup in APBS? Any information would be appreciated! Best, yingzhe -- Yingzhe Liu Ph.D. Student of Analytical Chemistry Chemistry Department, Nankai University Tianjin, P.R.China, 30071 Tel: +86-022-23509425 Web: http://chinfo.nankai.edu.cn/ |