Marc van der Kamp
Marc van der Kamp
Research Fellow, University of Bristol
Verified email at - Homepage
Cited by
Cited by
Combined quantum mechanics/molecular mechanics (QM/MM) methods in computational enzymology
MW van der Kamp, AJ Mulholland
Biochemistry 52 (16), 2708-2728, 2013
Dynameomics: a comprehensive database of protein dynamics
MW van der Kamp, RD Schaeffer, AL Jonsson, AD Scouras, AM Simms, ...
Structure 18 (4), 423-435, 2010
Pathogenic mutations in the hydrophobic core of the human prion protein can promote structural instability and misfolding
MW van der Kamp, V Daggett
Journal of molecular biology 404 (4), 732-748, 2010
On the temperature dependence of enzyme-catalyzed rates
VL Arcus, EJ Prentice, JK Hobbs, AJ Mulholland, MW Van der Kamp, ...
Biochemistry 55 (12), 1681-1688, 2016
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
The consequences of pathogenic mutations to the human prion protein
MW Van der Kamp, V Daggett
Protein Engineering, Design & Selection 22 (8), 461-468, 2009
The catalytic mechanism of a natural Diels–Alderase revealed in molecular detail
MJ Byrne, NR Lees, LC Han, MW van der Kamp, AJ Mulholland, ...
Journal of the American Chemical Society 138 (19), 6095-6098, 2016
Influence of pH on the human prion protein: insights into the early steps of misfolding
MW Van der Kamp, V Daggett
Biophysical journal 99 (7), 2289-2298, 2010
Testing high-level QM/MM methods for modeling enzyme reactions: acetyl-CoA deprotonation in citrate synthase
MW van der Kamp, J Zurek, FR Manby, JN Harvey, AJ Mulholland
The Journal of Physical Chemistry B 114 (34), 11303-11314, 2010
The basis for carbapenem hydrolysis by class A β-lactamases: a combined investigation using crystallography and simulations
F Fonseca, EI Chudyk, MW van der Kamp, A Correia, AJ Mulholland, ...
Journal of the American Chemical Society 134 (44), 18275-18285, 2012
Computational enzymology: insight into biological catalysts from modelling
MW van der Kamp, AJ Mulholland
Natural product reports 25 (6), 1001-1014, 2008
Comparison of ab initio, DFT, and semiempirical QM/MM approaches for description of catalytic mechanism of hairpin ribozyme
V Mlýnský, P Banáš, J Sponer, MW van der Kamp, AJ Mulholland, ...
Journal of Chemical Theory and Computation 10 (4), 1608-1622, 2014
A projector-embedding approach for multiscale coupled-cluster calculations applied to citrate synthase
SJ Bennie, MW van der Kamp, RCR Pennifold, M Stella, FR Manby, ...
Journal of chemical theory and computation 12 (6), 2689-2697, 2016
Diverse effects on the native β-sheet of the human prion protein due to disease-associated mutations
W Chen, MW van der Kamp, V Daggett
Biochemistry 49 (45), 9874-9881, 2010
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
Dynamical origins of heat capacity changes in enzyme-catalysed reactions
MW van der Kamp, EJ Prentice, KL Kraakman, M Connolly, AJ Mulholland, ...
Nature communications 9 (1), 1-7, 2018
Atomistic non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model
A Sisto, C Stross, MW van der Kamp, M O’Connor, S McIntosh-Smith, ...
Physical Chemistry Chemical Physics 19 (23), 14924-14936, 2017
High-level QM/MM modelling predicts an arginine as the acid in the condensation reaction catalysed by citrate synthase
MW van der Kamp, F Perruccio, AJ Mulholland
Chemical communications, 1874-1876, 2008
Comparison of different quantum mechanical/molecular mechanics boundary treatments in the reaction of the hepatitis C virus NS3 protease with the NS5A/5B substrate
A Rodríguez, C Oliva, M Gonzalez, M van der Kamp, AJ Mulholland
The Journal of Physical Chemistry B 111 (44), 12909-12915, 2007
Reaction Mechanism of N-Acetylneuraminic Acid Lyase Revealed by a Combination of Crystallography, QM/MM Simulation, and Mutagenesis
AD Daniels, I Campeotto, MW van der Kamp, AH Bolt, CH Trinh, ...
ACS chemical biology 9 (4), 1025-1032, 2014
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