Combining Conformational Flexibility and Continuum Electrostatics for Calculating pKas in Proteins
Top Cited Papers
- 1 October 2002
- journal article
- Published by Elsevier in Biophysical Journal
- Vol. 83 (4) , 1731-1748
- https://doi.org/10.1016/s0006-3495(02)73940-4
Abstract
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This publication has 134 references indexed in Scilit:
- Modeling the Effects of Mutations on the Free Energy of the First Electron Transfer from QA- to QB in Photosynthetic Reaction CentersBiochemistry, 2000
- Electrostatic contributions to the stability of halophilic proteinsJournal of Molecular Biology, 1998
- Measurement and Modelling of Sequence-specific pKaValues of Lysine Residues in Calbindin D9kJournal of Molecular Biology, 1996
- Hydrogen Bonding and Distance Studies of Amino Acids and Peptides Using Solid State 2D1H−13C Heteronuclear Correlation SpectraJournal of the American Chemical Society, 1996
- Solution Structure of (Cd2+)1-calbindin D9kReveals Details of the Stepwise Structural Changes along the Apo*rarr;(Ca2+)*rarr;(Ca)Binding PathwayJournal of Molecular Biology, 1995
- pKA Values of Carboxyl Groups in the Native and Denatured States of Barnase: The pKA Values of the Denatured State Are on Average 0.4 Units Lower Than Those of Model CompoundsBiochemistry, 1995
- Determination of the solution structure of apo calbindin D9k by NMR spectroscopyJournal of Molecular Biology, 1995
- Crystal Structural Analysis of Mutations in the Hydrophobic Cores of BarnaseJournal of Molecular Biology, 1993
- On the calculation of electrostatic interactions in proteinsJournal of Molecular Biology, 1985
- Calculation of the electric potential in the active site cleft due to α-helix dipolesJournal of Molecular Biology, 1982