List of works - Richard Henchman

Assessment of Hydration Thermodynamics at Protein Interfaces with Grid Cell Theory.

scientific article published on 19 September 2016

Classical and quantum gibbs free energies and phase behavior of water using simulation and cell theory

scientific article published on 19 July 2008

Cross-linking of aromatic phenolate groups by cytochrome P450 enzymes: a model for the biosynthesis of vancomycin by OxyB

scientific article published on 09 June 2020

Discovery of a novel binding trench in HIV integrase.

scientific article

Entropy of Simulated Liquids Using Multiscale Cell Correlation

scientific article published on 31 July 2019

Evaluation of Host-Guest Binding Thermodynamics of Model Cavities with Grid Cell Theory

scientific article published on 01 September 2014

Extending the Martini Coarse-Grained Force Field to N-Glycans

scientific article published on 23 July 2020

Free energy of liquid water from a computer simulation via cell theory

scientific article published on 01 February 2007

From model complexes to metalloprotein inhibition: a synergistic approach to structure-based drug discovery

scientific article published in August 2003

Inhibitors of PIM-1 kinase: a computational analysis of the binding free energies of a range of imidazo [1,2-b] pyridazines.

scientific article published in March 2010

Instantaneous, parameter-free methods to define a solute's hydration shell

scientific article published on 01 December 2015

Locally adaptive method to define coordination shell

scientific article published in August 2016

Long-range hydrogen-bond structure in aqueous solutions and the vapor-water interface.

scientific article published in July 2012

Macromolecular Entropy Can Be Accurately Computed from Force.

scientific article published in November 2014

Mechanism of acetylcholinesterase inhibition by fasciculin: a 5-ns molecular dynamics simulation.

scientific article published in May 2002

Model for Counterion Binding and Charge Reversal on Protein Surfaces

scientific article published on 09 January 2020

Molecular dynamics of acetylcholinesterase

scientific article (publication date: June 2002)

Overcoming the limitations of cutoffs for defining atomic coordination in multicomponent systems.

scientific article published on 15 December 2017

Parameter-Free Hydrogen-Bond Definition to Classify Protein Secondary Structure

scientific article published on 25 April 2016

Prediction of Small Molecule Hydration Thermodynamics with Grid Cell Theory.

scientific article published on 13 December 2013

Protons and Hydroxide Ions in Aqueous Systems.

scientific article published on 17 June 2016

Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy

scientific article

Solvation theory to provide a molecular interpretation of the hydrophobic entropy loss of noble-gas hydration.

scientific article published on 21 June 2010

Standard Free Energy of Binding from a One-Dimensional Potential of Mean Force

scientific article published on 10 March 2009

Topological hydrogen-bond definition to characterize the structure and dynamics of liquid water.

scientific article published on 29 November 2010

Water Determines the Structure and Dynamics of Proteins

scientific article

Water's dual nature and its continuously changing hydrogen bonds

scientific article published on 22 July 2016

Water's non-tetrahedral side

scientific article published on 01 January 2013

Water—The Most Anomalous Liquid

scientific article published on 01 July 2016

List of works by Richard Henchman

Assessment of Hydration Thermodynamics at Protein Interfaces with Grid Cell Theory.

Classical and quantum gibbs free energies and phase behavior of water using simulation and cell theory

Cross-linking of aromatic phenolate groups by cytochrome P450 enzymes: a model for the biosynthesis of vancomycin by OxyB

Discovery of a novel binding trench in HIV integrase.

Entropy of Simulated Liquids Using Multiscale Cell Correlation

Evaluation of Host-Guest Binding Thermodynamics of Model Cavities with Grid Cell Theory

Extending the Martini Coarse-Grained Force Field to N-Glycans

Free energy of liquid water from a computer simulation via cell theory

From model complexes to metalloprotein inhibition: a synergistic approach to structure-based drug discovery

Inhibitors of PIM-1 kinase: a computational analysis of the binding free energies of a range of imidazo [1,2-b] pyridazines.

Instantaneous, parameter-free methods to define a solute's hydration shell

Locally adaptive method to define coordination shell

Long-range hydrogen-bond structure in aqueous solutions and the vapor-water interface.

Macromolecular Entropy Can Be Accurately Computed from Force.

Mechanism of acetylcholinesterase inhibition by fasciculin: a 5-ns molecular dynamics simulation.

Model for Counterion Binding and Charge Reversal on Protein Surfaces

Molecular dynamics of acetylcholinesterase

Overcoming the limitations of cutoffs for defining atomic coordination in multicomponent systems.

Parameter-Free Hydrogen-Bond Definition to Classify Protein Secondary Structure

Prediction of Small Molecule Hydration Thermodynamics with Grid Cell Theory.

Protons and Hydroxide Ions in Aqueous Systems.

Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy

Solvation theory to provide a molecular interpretation of the hydrophobic entropy loss of noble-gas hydration.

Standard Free Energy of Binding from a One-Dimensional Potential of Mean Force

Topological hydrogen-bond definition to characterize the structure and dynamics of liquid water.

Water Determines the Structure and Dynamics of Proteins

Water's dual nature and its continuously changing hydrogen bonds

Water's non-tetrahedral side

Water—The Most Anomalous Liquid