Combining conformational flexibility and continuum electrostatics for calculating pKas in proteins

Biophysical Journal

Volumn 83, Issue 4, 2002, Pages 1731-1748

  Georgescu, Roxana E ^a,b   Alexov, Emil G ^a,c   Gunner, Marilyn R ^a  

^a CITY COLLEGE OF NEW YORK   (United States)

^b ROCKEFELLER UNIVERSITY   (United States)

^c Och Spine at New York Presbyterian Hospitals   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ASPARAGINE; HYDROXYL GROUP; LYSOZYME; PROTEIN G; RIBONUCLEASE A; RIBONUCLEASE H; WATER;

ARTICLE; CALCULATION; CRYSTAL STRUCTURE; DIELECTRIC CONSTANT; ENERGY TRANSFER; IONIZATION; MOLECULAR MECHANICS; MONTE CARLO METHOD; PH; PKA; PROTEIN CONFORMATION; PROTEIN STABILITY;

EID: 0036787760     PISSN: 00063495     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0006-3495(02)73940-4     Document Type: Article

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