Christopher Woods
TitleCited byYear
The development of replica-exchange-based free-energy methods
CJ Woods, JW Essex, MA King
The Journal of Physical Chemistry B 107 (49), 13703-13710, 2003
1802003
Fluoride-selective binding in a new deep cavity calix [4] pyrrole: Experiment and theory
CJ Woods, S Camiolo, ME Light, SJ Coles, MB Hursthouse, MA King, ...
Journal of the American Chemical Society 124 (29), 8644-8652, 2002
1262002
An efficient method for the calculation of quantum mechanics/molecular mechanics free energies
CJ Woods, FR Manby, AJ Mulholland
The Journal of chemical physics 128 (1), 01B605, 2008
952008
Biomolecular simulation and modelling: status, progress and prospects
MW van der Kamp, KE Shaw, CJ Woods, AJ Mulholland
Journal of The Royal Society Interface 5 (suppl_3), 173-190, 2008
912008
Enhanced configurational sampling in binding free-energy calculations
CJ Woods, JW Essex, MA King
The Journal of Physical Chemistry B 107 (49), 13711-13718, 2003
722003
Compatibility of quantum chemical methods and empirical (MM) water models in quantum mechanics/molecular mechanics liquid water simulations
KE Shaw, CJ Woods, AJ Mulholland
The Journal of Physical Chemistry Letters 1 (1), 219-223, 2009
452009
FESetup: automating setup for alchemical free energy simulations
HH Loeffler, J Michel, C Woods
Journal of chemical information and modeling 55 (12), 2485-2490, 2015
392015
A water-swap reaction coordinate for the calculation of absolute protein–ligand binding free energies
CJ Woods, M Malaisree, S Hannongbua, AJ Mulholland
The Journal of chemical physics 134 (5), 02B611, 2011
392011
Grid computing and biomolecular simulation
CJ Woods, MH Ng, S Johnston, SE Murdock, B Wu, K Tai, H Fangohr, ...
Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2005
372005
Computational assay of H7N9 influenza neuraminidase reveals R292K mutation reduces drug binding affinity
CJ Woods, M Malaisree, B Long, S McIntosh-Smith, AJ Mulholland
Scientific reports 3, 3561, 2013
302013
Massively Multicore Parallelization of Kohn− Sham Theory
P Brown, C Woods, S McIntosh-Smith, FR Manby
Journal of chemical theory and computation 4 (10), 1620-1626, 2008
302008
Long time scale GPU dynamics reveal the mechanism of drug resistance of the dual mutant I223R/H275Y neuraminidase from H1N1-2009 influenza virus
CJ Woods, M Malaisree, N Pattarapongdilok, P Sompornpisut, ...
Biochemistry 51 (21), 4364-4375, 2012
282012
A “stepping stone” approach for obtaining quantum free energies of hydration
C Sampson, T Fox, CS Tautermann, C Woods, CK Skylaris
The Journal of Physical Chemistry B 119 (23), 7030-7040, 2015
262015
Rapid decomposition and visualisation of protein–ligand binding free energies by residue and by water
CJ Woods, M Malaisree, J Michel, B Long, S McIntosh-Smith, ...
Faraday discussions 169, 477-499, 2014
192014
Combined quantum mechanics/molecular mechanics (QM/MM) simulations for protein–ligand complexes: free energies of binding of water molecules in influenza neuraminidase
CJ Woods, KE Shaw, AJ Mulholland
The Journal of Physical Chemistry B 119 (3), 997-1001, 2014
182014
L718Q mutant EGFR escapes covalent inhibition by stabilizing a non-reactive conformation of the lung cancer drug osimertinib
D Callegari, KE Ranaghan, CJ Woods, R Minari, M Tiseo, M Mor, ...
Chemical science 9 (10), 2740-2749, 2018
172018
Lennard− Jones Parameters for B3LYP/CHARMM27 QM/MM Modeling of Nucleic Acid Bases
U Pentikäinen, KE Shaw, K Senthilkumar, CJ Woods, AJ Mulholland
Journal of chemical theory and computation 5 (2), 396-410, 2009
172009
Multicore Parallelization of Kohn− Sham Theory
CJ Woods, P Brown, FR Manby
Journal of chemical theory and computation 5 (7), 1776-1784, 2009
162009
Analysis and assay of oseltamivir-resistant mutants of influenza neuraminidase via direct observation of drug unbinding and rebinding in simulation
CJ Woods, M Malaisree, B Long, S McIntosh-Smith, AJ Mulholland
Biochemistry 52 (45), 8150-8164, 2013
152013
Multiscale modelling of biological systems
CJ Woods, AJ Mulholland
RSC Special Periodicals Report: Chemical Modelling, Applications and Theory 5, 2008
142008
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Articles 1–20