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Developing hybrid approaches to predict pKa values of ionizable groups.

Developing hybrid approaches to predict pKa values of ionizable groups. Proteins. 2011 Dec; 79(12):3389-99.

View in: PubMed

subject areas
  • Amino Acids
  • Bacterial Proteins
  • Computer Simulation
  • Hydrogen-Ion Concentration
  • Micrococcal Nuclease
  • Models, Chemical
  • Models, Molecular
  • Molecular Dynamics Simulation
  • Mutation
  • Protein Conformation
  • Protein Structure, Tertiary
  • Protons
  • Static Electricity
  • Thermodynamics

authors with profiles
  • Emil Georgiev Alexov