Assignment of protonation states in proteins and ligands: combining pKa prediction with hydrogen bonding network optimization.
Krieger, Elmar
Assignment of protonation states in proteins and ligands: combining pKa prediction with hydrogen bonding network optimization. [electronic resource] - Methods in molecular biology (Clifton, N.J.) 2012 - 405-21 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
1940-6029
10.1007/978-1-61779-465-0_25 doi
Algorithms
Computational Biology--methods
Hydrogen Bonding
Ligands
Models, Molecular
Proteins--chemistry
Protons
Thermodynamics
Assignment of protonation states in proteins and ligands: combining pKa prediction with hydrogen bonding network optimization. [electronic resource] - Methods in molecular biology (Clifton, N.J.) 2012 - 405-21 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
1940-6029
10.1007/978-1-61779-465-0_25 doi
Algorithms
Computational Biology--methods
Hydrogen Bonding
Ligands
Models, Molecular
Proteins--chemistry
Protons
Thermodynamics