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The Journal of Chemical Physics
|
March 23, 2015
3D RISM theory with fast reciprocal-space electrostatics
Jochen Heil, Stefan M Kast
The Journal of Physical Chemistry. B
|
March 18, 2008
Quantum chemistry in solution by combining 3D integral equation theory with a cluster embedding approach
Thomas Kloss, Jochen Heil, Stefan M Kast
Journal of Chemical Theory and Computation
|
November 20, 2015
Three-Dimensional RISM Integral Equation Theory for Polarizable Solute Models
Franziska Hoffgaard, Jochen Heil, Stefan M Kast
Journal of Molecular Modeling
|
March 26, 2014
Acidity in DMSO from the embedded cluster integral equation quantum solvation model
Jochen Heil, Daniel Tomazic, Simon Egbers, et al.
Journal of Computer-Aided Molecular Design
|
March 31, 2010
Prediction of tautomer ratios by embedded-cluster integral equation theory
Stefan 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 Series
Stefan Güssregen, Hans Matter, Gerhard Hessler, 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 <sub>a</sub>, and cyclohexane-water log D
Nicolas Tielker, Daniel Tomazic, Jochen Heil, et al.
Journal of Chemical Theory and Computation
|
March 4, 2020
Tautomeric Equilibria of Nucleobases in the Hachimoji Expanded Genetic Alphabet
Lukas Eberlein, Frank R Beierlein, Nico J R van Eikema Hommes, et al.
Journal of Medicinal Chemistry
|
August 15, 2015
Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach
Julian Engel, André Richters, Matthäus Getlik, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
March 23, 2015
3D RISM theory with fast reciprocal-space electrostatics
Jochen Heil, Stefan M Kast
The Journal of Physical Chemistry. B
|
March 18, 2008
Quantum chemistry in solution by combining 3D integral equation theory with a cluster embedding approach
Thomas Kloss, Jochen Heil, Stefan M Kast
Journal of Chemical Theory and Computation
|
November 20, 2015
Three-Dimensional RISM Integral Equation Theory for Polarizable Solute Models
Franziska Hoffgaard, Jochen Heil, Stefan M Kast
Journal of Molecular Modeling
|
March 26, 2014
Acidity in DMSO from the embedded cluster integral equation quantum solvation model
Jochen Heil, Daniel Tomazic, Simon Egbers, et al.
Journal of Computer-Aided Molecular Design
|
March 31, 2010
Prediction of tautomer ratios by embedded-cluster integral equation theory
Stefan 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 Series
Stefan Güssregen, Hans Matter, Gerhard Hessler, 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 <sub>a</sub>, and cyclohexane-water log D
Nicolas Tielker, Daniel Tomazic, Jochen Heil, et al.
Journal of Chemical Theory and Computation
|
March 4, 2020
Tautomeric Equilibria of Nucleobases in the Hachimoji Expanded Genetic Alphabet
Lukas Eberlein, Frank R Beierlein, Nico J R van Eikema Hommes, et al.
Journal of Medicinal Chemistry
|
August 15, 2015
Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach
Julian Engel, André Richters, Matthäus Getlik, et al.
Page
of 1