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λ-dynamics free energy simulation methods

Free energy calculations are fundamental to obtaining accurate theoretical estimates of many important biological phenomena including hydration energies, protein-ligand binding affinities and energetics of conformational changes. Unlike traditional free energy perturbation and thermodynamic integrat...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Egile Nagusiak: Knight, Jennifer L., Brooks, Charles L.
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: 2009
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC2730455/
https://ncbi.nlm.nih.gov/pubmed/19421993
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21295
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