LigpKa – a database of pKa values for small molecule ligands designed for the use in structure-based pKa calculations

類似資料

• On the development of protein pKa calculation algorithms
  著者:: Carstensen, Tommy, 等
  出版事項: (2011)
• Calculating pKa values in enzyme active sites
  著者:: Nielsen, Jens Erik, 等
  出版事項: (2003)
• On the evaluation and optimization of protein X-ray structures for pKa calculations
  著者:: Nielsen, Jens Erik, 等
  出版事項: (2003)
• Explicit solvent models in protein pKa calculations.
  著者:: Gibas, C J, 等
  出版事項: (1996)
• pKa calculations for class A beta-lactamases: methodological and mechanistic implications.
  著者:: Raquet, X, 等
  出版事項: (1997)