| At the dawn of the 21st century: Is dynamics the missing link for understanding enzyme catalysis? SCL Kamerlin, A Warshel Proteins: Structure, Function, and Bioinformatics 78 (6), 1339-1375, 2010 | 570 | 2010 |
| Why nature really chose phosphate SCL Kamerlin, PK Sharma, RB Prasad, A Warshel Quarterly reviews of biophysics 46 (1), 1-132, 2013 | 412 | 2013 |
| Progress in Ab Initio QM/MM Free-Energy Simulations of Electrostatic Energies in Proteins: Accelerated QM/MM Studies of pKa, Redox Reactions and Solvation … SCL Kamerlin, M Haranczyk, A Warshel The journal of physical chemistry B 113 (5), 1253-1272, 2009 | 340 | 2009 |
| Enzyme millisecond conformational dynamics do not catalyze the chemical step AV Pisliakov, J Cao, SCL Kamerlin, A Warshel Proceedings of the National Academy of Sciences 106 (41), 17359-17364, 2009 | 246 | 2009 |
| Coarse-grained (multiscale) simulations in studies of biophysical and chemical systems SCL Kamerlin, S Vicatos, A Dryga, A Warshel Annual review of physical chemistry 62 (1), 41-64, 2011 | 244 | 2011 |
| Catalysis by dihydrofolate reductase and other enzymes arises from electrostatic preorganization, not conformational motions AJ Adamczyk, J Cao, SCL Kamerlin, A Warshel Proceedings of the National Academy of Sciences 108 (34), 14115-14120, 2011 | 233 | 2011 |
| Force field independent metal parameters using a nonbonded dummy model F Duarte, P Bauer, A Barrozo, BA Amrein, M Purg, J Åqvist, SCL Kamerlin The Journal of Physical Chemistry B 118 (16), 4351-4362, 2014 | 198 | 2014 |
| The empirical valence bond model: theory and applications SCL Kamerlin, A Warshel Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (1), 30-45, 2011 | 196 | 2011 |
| Conformational dynamics and enzyme evolution D Petrović, VA Risso, SCL Kamerlin, JM Sanchez-Ruiz Journal of the Royal Society Interface 15 (144), 20180330, 2018 | 191 | 2018 |
| Evolution of chalcone isomerase from a noncatalytic ancestor M Kaltenbach, JR Burke, M Dindo, A Pabis, FS Munsberg, A Rabin, ... Nature chemical biology 14 (6), 548-555, 2018 | 141 | 2018 |
| On the interpretation of the observed linear free energy relationship in phosphate hydrolysis: a thorough computational study of phosphate diester hydrolysis in solution E Rosta, SCL Kamerlin, A Warshel Biochemistry 47 (12), 3725-3735, 2008 | 131 | 2008 |
| The EVB as a quantitative tool for formulating simulations and analyzing biological and chemical reactions SCL Kamerlin, A Warshel Faraday discussions 145, 71-106, 2010 | 121 | 2010 |
| Resolving apparent conflicts between theoretical and experimental models of phosphate monoester hydrolysis F Duarte, J Åqvist, NH Williams, SCL Kamerlin Journal of the American Chemical Society 137 (3), 1081-1093, 2015 | 120 | 2015 |
| Harnessing conformational plasticity to generate designer enzymes RM Crean, JM Gardner, SCL Kamerlin Journal of the American Chemical Society 142 (26), 11324-11342, 2020 | 110 | 2020 |
| Cellular polyamines promote amyloid-beta (Aβ) peptide fibrillation and modulate the aggregation pathways J Luo, CH Yu, H Yu, R Borstnar, SCL Kamerlin, A Gräslund, ... ACS chemical neuroscience 4 (3), 454-462, 2013 | 110 | 2013 |
| Are mixed explicit/implicit solvation models reliable for studying phosphate hydrolysis? A comparative study of continuum, explicit and mixed solvation models SCL Kamerlin, M Haranczyk, A Warshel ChemPhysChem 10 (7), 1125-1134, 2009 | 110 | 2009 |
| Paradynamics: an effective and reliable model for ab initio QM/MM free-energy calculations and related tasks NV Plotnikov, SCL Kamerlin, A Warshel The Journal of Physical Chemistry B 115 (24), 7950-7962, 2011 | 108 | 2011 |
| Associative versus dissociative mechanisms of phosphate monoester hydrolysis: on the interpretation of activation entropies SCL Kamerlin, J Florián, A Warshel ChemPhysChem 9 (12), 1767-1773, 2008 | 108 | 2008 |
| Managing coronavirus disease 2019 spread with voluntary public health measures: Sweden as a case study for pandemic control SCL Kamerlin, PM Kasson Clinical Infectious Diseases 71 (12), 3174-3181, 2020 | 107 | 2020 |
| Higher-order epistasis shapes the fitness landscape of a xenobiotic-degrading enzyme G Yang, DW Anderson, F Baier, E Dohmen, N Hong, PD Carr, ... Nature Chemical Biology 15 (11), 1120-1128, 2019 | 107 | 2019 |
Fernanda DuarteUniversity of Oxford確認したメール アドレス: chem.ox.ac.uk