Articles with public access mandates - Richard HenchmanLearn more
Available somewhere: 23
Water determines the structure and dynamics of proteins
MC Bellissent-Funel, A Hassanali, M Havenith, R Henchman, P Pohl, ...
Chemical reviews 116 (13), 7673-7697, 2016
Mandates: US National Science Foundation, US Department of Energy, Austrian Science …
Protons and hydroxide ions in aqueous systems
N Agmon, HJ Bakker, RK Campen, RH Henchman, P Pohl, S Roke, ...
Chemical reviews 116 (13), 7642-7672, 2016
Mandates: Austrian Science Fund, Swedish Research Council, UK Biotechnology and …
Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity
DJ Huggins, PC Biggin, MA Dämgen, JW Essex, SA Harris, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 9 (3), e1393, 2019
Mandates: UK Biotechnology and Biological Sciences Research Council, UK Engineering …
Prediction of small molecule hydration thermodynamics with grid cell theory
G Gerogiokas, G Calabro, RH Henchman, MWY Southey, RJ Law, ...
Journal of chemical theory and computation 10 (1), 35-48, 2014
Mandates: UK Biotechnology and Biological Sciences Research Council, UK Engineering …
Water's non-tetrahedral side
RH Henchman, SJ Cockram
Faraday Discussions 167, 529-550, 2013
Mandates: UK Biotechnology and Biological Sciences Research Council, UK Engineering …
Water’s dual nature and its continuously changing hydrogen bonds
RH Henchman
Journal of Physics: Condensed Matter 28 (38), 384001, 2016
Mandates: UK Biotechnology and Biological Sciences Research Council
Locally adaptive method to define coordination shell
J Higham, RH Henchman
The Journal of chemical physics 145 (8), 2016
Mandates: UK Biotechnology and Biological Sciences Research Council
Macromolecular entropy can be accurately computed from force
U Hensen, F Gräter, RH Henchman
Journal of chemical theory and computation 10 (11), 4777-4781, 2014
Mandates: UK Biotechnology and Biological Sciences Research Council
Evaluation of host–guest binding thermodynamics of model cavities with grid cell theory
J Michel, RH Henchman, G Gerogiokas, MWY Southey, MP Mazanetz, ...
Journal of Chemical Theory and Computation 10 (9), 4055-4068, 2014
Mandates: UK Biotechnology and Biological Sciences Research Council, UK Engineering …
Entropy of simulated liquids using multiscale cell correlation
HS Ali, J Higham, RH Henchman
Entropy 21 (8), 750, 2019
Mandates: UK Biotechnology and Biological Sciences Research Council, UK Engineering …
The attraction of water for itself at hydrophobic quartz interfaces
QA Besford, AJ Christofferson, J Kalayan, JU Sommer, RH Henchman
The Journal of Physical Chemistry B 124 (29), 6369-6375, 2020
Mandates: UK Engineering and Physical Sciences Research Council
Energy–entropy method using multiscale cell correlation to calculate binding free energies in the SAMPL8 host–guest challenge
HS Ali, A Chakravorty, J Kalayan, SP de Visser, RH Henchman
Journal of computer-aided molecular design 35, 911-921, 2021
Mandates: US National Institutes of Health, UK Engineering and Physical Sciences …
Assessment of hydration thermodynamics at protein interfaces with grid cell theory
G Gerogiokas, MWY Southey, MP Mazanetz, A Heifetz, M Bodkin, RJ Law, ...
The Journal of Physical Chemistry B 120 (40), 10442-10452, 2016
Mandates: UK Biotechnology and Biological Sciences Research Council, UK Engineering …
Entropy of flexible liquids from hierarchical force–torque covariance and coordination
J Higham, SY Chou, F Gräter, RH Henchman
Molecular Physics 116 (15-16), 1965-1976, 2018
Mandates: UK Biotechnology and Biological Sciences Research Council
Overcoming the limitations of cutoffs for defining atomic coordination in multicomponent systems
J Higham, RH Henchman
Journal of Computational Chemistry 39 (12), 705-710, 2018
Mandates: UK Biotechnology and Biological Sciences Research Council
Parameter-free hydrogen-bond definition to classify protein secondary structure
H Haghighi, J Higham, RH Henchman
The Journal of Physical Chemistry B 120 (33), 8566-8570, 2016
Mandates: UK Biotechnology and Biological Sciences Research Council
Convergence behaviour of solvation shells in simulated liquids
J Kalayan, RH Henchman
Physical Chemistry Chemical Physics 23 (8), 4892-4900, 2021
Mandates: UK Engineering and Physical Sciences Research Council
Model for counterion binding and charge reversal on protein surfaces
J Kalayan, RH Henchman, J Warwicker
Molecular Pharmaceutics 17 (2), 595-603, 2019
Mandates: UK Engineering and Physical Sciences Research Council
Thermodynamic origin of differential excipient-lysozyme interactions
J Kalayan, RA Curtis, J Warwicker, RH Henchman
Frontiers in Molecular Biosciences 8, 689400, 2021
Mandates: UK Engineering and Physical Sciences Research Council
Total free energy analysis of fully hydrated proteins
J Kalayan, A Chakravorty, J Warwicker, RH Henchman
Proteins: Structure, Function, and Bioinformatics 91 (1), 74-90, 2023
Mandates: UK Engineering and Physical Sciences Research Council
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