Lynn Kamerlin
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- 2011
-
Mark
Coarse-grained (multiscale) simulations in studies of biophysical and chemical systems
Kamerlin, Shina C L LU
; Vicatos, Spyridon
; Dryga, Anatoly
and Warshel, Arieh
(2011)
In Annual Review of Physical Chemistry
62.
p.41-64
- Contribution to journal › Scientific review
- 2010
-
Mark
Ketosteroid isomerase provides further support for the idea that enzymes work by electrostatic preorganization
Kamerlin, Shina C L LU
; Sharma, Pankaz K
; Chu, Zhen T
and Warshel, Arieh
(2010)
In Proceedings of the National Academy of Sciences of the United States of America
107(9).
p.80-4075
- Contribution to journal › Article
-
Mark
Examining the case for the effect of barrier compression on tunneling, vibrationally enhanced catalysis, catalytic entropy and related issues
Kamerlin, Shina Caroline Lynn LU
; Mavri, Janez
and Warshel, A
(2010)
In FEBS Letters
584(13).
p.66-2759
- Contribution to journal › Scientific review
-
Mark
An Analysis of All the Relevant Facts and Arguments Indicates that Enzyme Catalysis Does Not Involve Large Contributions from Nuclear Tunneling
Kamerlin, Shina C L LU
and Warshel, Arieh
(2010)
In Journal of Physical Organic Chemistry
23(7).
p.677-684
- Contribution to journal › Article
-
Mark
The EVB as a quantitative tool for formulating simulations and analyzing biological and chemical reactions
- Contribution to journal › Article
-
Mark
On catalytic preorganization in oxyanion holes : highlighting the problems with the gas-phase modeling of oxyanion holes and illustrating the need for complete enzyme models
Kamerlin, Shina C L LU
; Chu, Zhen T
and Warshel, A
(2010)
In The Journal of Organic Chemistry
75(19).
p.401-6391
- Contribution to journal › Article
-
Mark
At the dawn of the 21st century : Is dynamics the missing link for understanding enzyme catalysis?
- Contribution to journal › Scientific review
- 2009
-
Mark
On the energetics of ATP hydrolysis in solution
Kamerlin, Shina C L LU
and Warshel, Arieh
(2009)
In The Journal of Physical Chemistry Part B
113(47).
p.8-15692
- Contribution to journal › Article
-
Mark
On unjustifiably misrepresenting the EVB approach while simultaneously adopting it
Kamerlin, Shina C L LU
; Cao, Jie
; Rosta, Edina
and Warshel, Arieh
(2009)
In The Journal of Physical Chemistry Part B
113(31).
p.15-10905
- Contribution to journal › Article
-
Mark
Are mixed explicit/implicit solvation models reliable for studying phosphate hydrolysis? : A comparative study of continuum, explicit and mixed solvation models
Kamerlin, Shina C L LU
; Haranczyk, Maciej
and Warshel, Arieh
(2009)
In ChemPhysChem
10(7).
p.34-1125
- Contribution to journal › Article