نتایج جستجو برای: binding free energy
تعداد نتایج: 1507886 فیلتر نتایج به سال:
Journal:
:Biophysical Journal
2019
Journal:
:Protein Engineering, Design and Selection
2002
Journal:
:Chem-Bio Informatics Journal
2009
Journal:
:Seibutsu Butsuri
2001
Journal:
:Journal of Chemical Theory and Computation
2021
The alchemical transfer method (ATM) for the calculation of standard binding free energies noncovalent molecular complexes is presented. based on a coordinate displacement perturbation ligand between receptor site and explicit solvent bulk thermodynamic cycle connected by symmetric intermediate in which interacts with environments equal strength. While approach alchemical, implementation ATM as...
Journal:
:Journal of Chemical Information and Modeling
2020
Journal:
:Journal of Chemical Theory and Computation
2016
Journal:
:Journal of Chemical Theory and Computation
2009
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