Structural Models and Molecular Thermodynamics of Hydration of Ions and Small Molecules

Annual Reports in Computational Chemistry

Volumn 8, Issue , 2012, Pages 71-127

  Rogers, David M ^a   Jiao, Dian ^a   Pratt, Lawrence R ^b   Rempe, Susan B ^a  

^a SANDIA NATIONAL LABORATORIES   (United States)

^b Tulane University   (United States)

Author keywords

Carbonic anhydrase; Chelation; Chemical equilibrium; Inter ionic correlations; Ion coordination; Ion selectivity; Partition coefficient; Poisson Boltzmann theory; Potential distribution theory; Protein ligand association; Quasi chemical theory

Indexed keywords

EID: 84863840850     PISSN: 15741400     EISSN: None     Source Type: Book Series    
DOI: 10.1016/B978-0-444-59440-2.00004-1     Document Type: Chapter

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