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Journal of Computer-Aided Molecular Design|September 11, 2008
An improved method to predict the entropy term with the MM/PBSA approachJacob Kongsted, Ulf RydeJournal of Chemical Theory and Computation|December 1, 2015
Ligand Affinities Estimated by Quantum Chemical CalculationsPär Söderhjelm, Jacob Kongsted, Ulf RydeJournal of Computer-Aided Molecular Design|May 16, 2009
How accurate are continuum solvation models for drug-like molecules?Jacob Kongsted, Pär Söderhjelm, Ulf RydeJournal of Chemical Theory and Computation|November 27, 2015
Conformational Dependence of Isotropic PolarizabilitiesPär Söderhjelm, Jacob Kongsted, Ulf RydeAngewandte Chemie (International Ed. in English)|April 14, 2015
Multiscale modeling of the active site of [Fe] hydrogenase: the H₂ binding site in open and closed protein conformationsErik Donovan Hedegård, Jacob Kongsted, Ulf RydeInterdisciplinary Sciences, Computational Life Sciences|July 20, 2010
Estimates of ligand-binding affinities supported by quantum mechanical methodsPär Söderhjelm, Jacob Kongsted, Samuel Genheden, et al.Journal of Chemical Theory and Computation|December 1, 2015
Nonpolar Solvation Free Energies of Protein-Ligand ComplexesSamuel Genheden, Jacob Kongsted, Pär Söderhjelm, et al.Biochemistry|October 27, 2007
Prediction and rationalization of the pH dependence of the activity and stability of family 11 xylanasesJacob Kongsted, Ulf Ryde, James Wydra, et al.Physical Chemistry Chemical Physics : PCCP|January 29, 2014
Theoretical 57Fe Mössbauer spectroscopy: isomer shifts of [Fe]-hydrogenase intermediatesErik Donovan Hedegård, Stefan Knecht, Ulf Ryde, et al.Physical Chemistry Chemical Physics : PCCP|December 7, 2010
Unraveling the similarity of the photoabsorption of deprotonated p-coumaric acid in the gas phase and within the photoactive yellow proteinTomás Rocha-Rinza, Kristian Sneskov, Ove Christiansen, et al.Pageof 47