متابعة
Shina Caroline Lynn Kamerlin
عنوان
عدد مرات الاقتباسات
عدد مرات الاقتباسات
السنة
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
5732010
Why nature really chose phosphate‏
SCL Kamerlin, PK Sharma, RB Prasad, A Warshel‏
Quarterly reviews of biophysics 46 (1), 1-132, 2013‏
4152013
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
3402009
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
2462009
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
2442011
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
2322011
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
1982014
The empirical valence bond model: theory and applications‏
SCL Kamerlin, A Warshel‏
Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (1), 30-45, 2011‏
1972011
Conformational dynamics and enzyme evolution‏
D Petrović, VA Risso, SCL Kamerlin, JM Sanchez-Ruiz‏
Journal of the Royal Society Interface 15 (144), 20180330, 2018‏
1892018
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
1392018
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
1342008
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
1232010
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
1202015
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
1122013
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
1122011
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
1122008
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
1102009
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
1092019
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
1082020
Harnessing conformational plasticity to generate designer enzymes‏
RM Crean, JM Gardner, SCL Kamerlin‏
Journal of the American Chemical Society 142 (26), 11324-11342, 2020‏
1082020
يتعذر على النظام إجراء العملية في الوقت الحالي. عاود المحاولة لاحقًا.
مقالات 1–20