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Marc van der Kamp
Marc van der Kamp
Senior Lecturer, University of Bristol
Verified email at bris.ac.uk - Homepage
Title
Cited by
Cited by
Year
Combined quantum mechanics/molecular mechanics (QM/MM) methods in computational enzymology
MW van der Kamp, AJ Mulholland
Biochemistry 52 (16), 2708-2728, 2013
5062013
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
2092016
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
1582010
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
1362016
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
1212010
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
1132019
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
1092008
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
932009
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
862012
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
862010
Dynamical origins of heat capacity changes in enzyme-catalysed reactions
MW Van Der Kamp, EJ Prentice, KL Kraakman, M Connolly, ...
Nature communications 9 (1), 1-7, 2018
642018
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
632017
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
622010
Computational enzymology: insight into biological catalysts from modelling
MW van der Kamp, AJ Mulholland
Natural product reports 25 (6), 1001-1014, 2008
602008
Loop motion in triosephosphate isomerase is not a simple open and shut case
Q Liao, Y Kulkarni, U Sengupta, D Petrović, AJ Mulholland, ...
Journal of the American Chemical Society 140 (46), 15889-15903, 2018
582018
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
572016
Comparison of ab initio, DFT, and semiempirical QM/MM approaches for description of catalytic mechanism of hairpin ribozyme
V Mlynsky, P Banas, J Sponer, MW van der Kamp, AJ Mulholland, ...
Journal of Chemical Theory and Computation 10 (4), 1608-1622, 2014
562014
Structural basis of catalysis in the bacterial monoterpene synthases linalool synthase and 1, 8-cineole synthase
V Karuppiah, KE Ranaghan, NGH Leferink, LO Johannissen, ...
ACS catalysis 7 (9), 6268-6282, 2017
462017
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
462010
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
452014
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