| Combined quantum mechanics/molecular mechanics (QM/MM) methods in computational enzymology MW van der Kamp, AJ Mulholland Biochemistry 52 (16), 2708-2728, 2013 | 650 | 2013 |
| 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 | 308 | 2016 |
| 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 | 178 | 2016 |
| 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 | 175 | 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 | 163 | 2019 |
| 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 | 130 | 2008 |
| 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 | 129 | 2010 |
| 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 | 104 | 2009 |
| 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 | 101 | 2012 |
| Evolution of dynamical networks enhances catalysis in a designer enzyme HA Bunzel, JLR Anderson, D Hilvert, VL Arcus, MW Van Der Kamp, ... Nature Chemistry 13 (10), 1017-1022, 2021 | 99 | 2021 |
| 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 | 99 | 2010 |
| Dynamical origins of heat capacity changes in enzyme-catalysed reactions MW Van Der Kamp, EJ Prentice, KL Kraakman, M Connolly, ... Nature communications 9 (1), 1177, 2018 | 90 | 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 | 89 | 2017 |
| 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 | 88 | 2018 |
| Enzyme evolution and the temperature dependence of enzyme catalysis VL Arcus, MW Van Der Kamp, CR Pudney, AJ Mulholland Current Opinion in Structural Biology 65, 96-101, 2020 | 74 | 2020 |
| 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 | 73 | 2017 |
| 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 | 73 | 2016 |
| 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 | 72 | 2014 |
| 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 | 68 | 2010 |
| Loop dynamics and enzyme catalysis in protein tyrosine phosphatases RM Crean, M Biler, MW van der Kamp, AC Hengge, SCL Kamerlin Journal of the American Chemical Society 143 (10), 3830-3845, 2021 | 67 | 2021 |
Adrian MulhollandProfessor of Chemistry, University of BristolVerified email at bristol.ac.uk
