000 01191 a2200325 4500
005 20250516071222.0
264 0 _c20120413
008 201204s 0 0 eng d
022 _a1940-6029
024 7 _a10.1007/978-1-61779-465-0_25
_2doi
040 _aNLM
_beng
_cNLM
100 1 _aKrieger, Elmar
245 0 0 _aAssignment of protonation states in proteins and ligands: combining pKa prediction with hydrogen bonding network optimization.
_h[electronic resource]
260 _bMethods in molecular biology (Clifton, N.J.)
_c2012
300 _a405-21 p.
_bdigital
500 _aPublication Type: Journal Article; Research Support, Non-U.S. Gov't
650 0 4 _aAlgorithms
650 0 4 _aComputational Biology
_xmethods
650 0 4 _aHydrogen Bonding
650 0 4 _aLigands
650 0 4 _aModels, Molecular
650 0 4 _aProteins
_xchemistry
650 0 4 _aProtons
650 0 4 _aThermodynamics
700 1 _aDunbrack, Roland L
700 1 _aHooft, Rob W W
700 1 _aKrieger, Barbara
773 0 _tMethods in molecular biology (Clifton, N.J.)
_gvol. 819
_gp. 405-21
856 4 0 _uhttps://doi.org/10.1007/978-1-61779-465-0_25
_zAvailable from publisher's website
999 _c21404824
_d21404824