Jochen Heil

According to our database, Jochen Heil authored at least 6 papers between 2010 and 2017.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2017

Thermodynamic Characterization of Hydration Sites from Integral Equation-Derived Free Energy Densities: Application to Protein Binding Sites and Ligand Series.

Stefan Güssregen, Hans Matter, Gerhard Hessler, Evanthia Lionta, Jochen Heil, Stefan M. Kast

J. Chem. Inf. Model., July, 2017

2016

The SAMPL5 challenge for embedded-cluster integral equation theory: solvation free energies, aqueous p<i>K</i> _a, and cyclohexane-water log <i>D</i>.

Nicolas Tielker, Daniel Tomazic, Jochen Heil, Thomas Kloss, Sebastian Ehrhart, Stefan Güssregen, K. Friedemann Schmidt, Stefan M. Kast

J. Comput. Aided Mol. Des., 2016

2012

Non-continuum solvation using the EC-RISM method applied to predict tautomer ratios, pK_a and enantiomeric excess of alkylation reactions.

Jochen Heil, Roland Frach, Stefan M. Kast

J. Cheminformatics, 2012

Structure and thermodynamics of nonaqueous solvation by integral equation theory.

Roland Frach, Jochen Heil, Stefan M. Kast

J. Cheminformatics, 2012

2010

Erratum to: Prediction of tautomer ratios by embedded-cluster integral equation theory.

Stefan M. Kast, Jochen Heil, Stefan Güssregen, K. Friedemann Schmidt

J. Comput. Aided Mol. Des., 2010

Prediction of tautomer ratios by embedded-cluster integral equation theory.

Stefan M. Kast, Jochen Heil, Stefan Güssregen, K. Friedemann Schmidt

J. Comput. Aided Mol. Des., 2010