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Journal of Chemical Theory and Computation|November 20, 2015
Three-Dimensional RISM Integral Equation Theory for Polarizable Solute ModelsFranziska Hoffgaard, Jochen Heil, Stefan M KastThe Journal of Chemical Physics|March 23, 2015
3D RISM theory with fast reciprocal-space electrostaticsJochen Heil, Stefan M KastThe Journal of Physical Chemistry. B|March 18, 2008
Quantum chemistry in solution by combining 3D integral equation theory with a cluster embedding approachThomas Kloss, Jochen Heil, Stefan M KastJournal of Molecular Modeling|March 26, 2014
Acidity in DMSO from the embedded cluster integral equation quantum solvation modelJochen Heil, Daniel Tomazic, Simon Egbers, et al.The Journal of Biological Chemistry|February 12, 2011
Membrane anchoring and interaction between transmembrane domains are crucial for K+ channel functionManuela Gebhardt, Franziska Hoffgaard, Kay Hamacher, et al.Journal of Computer-Aided Molecular Design|March 31, 2010
Prediction of tautomer ratios by embedded-cluster integral equation theoryStefan M Kast, Jochen Heil, Stefan Güssregen, et al.Journal of Chemical Information and Modeling|June 2, 2017
Thermodynamic Characterization of Hydration Sites from Integral Equation-Derived Free Energy Densities: Application to Protein Binding Sites and Ligand SeriesStefan Güssregen, Hans Matter, Gerhard Hessler, et al.Journal of Chemical Information and Modeling|July 13, 2017
The hpCADD NDDO Hamiltonian: ParametrizationHeike B Thomas, Matthias Hennemann, Patrick Kibies, et al.Journal of Computer-Aided Molecular Design|August 25, 2016
The SAMPL5 challenge for embedded-cluster integral equation theory: solvation free energies, aqueous pK a, and cyclohexane-water log DNicolas Tielker, Daniel Tomazic, Jochen Heil, et al.Proteins|June 15, 2010
Distance-dependent classification of amino acids by information theorySusanne Pape, Franziska Hoffgaard, Kay HamacherPageof 8