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- 2024
-
Mark
Brassica oleracea L. var. italica Aquaporin Reconstituted Proteoliposomes as Nanosystems for Resveratrol Encapsulation
Yepes-Molina, Lucia LU ; Teruel, José A. ; Johanson, Urban LU
and Carvajal, Micaela
(2024)
In International Journal of Molecular Sciences
25(4).
- Contribution to journal › Article
- 2022
-
Mark
Interpretation of the X-Ray Emission Spectra of Liquid Water through Temperature and Isotope Dependence
Takahashi, Osamu ; Yamamura, Ryosuke ; Tokushima, Takashi LU
and Harada, Yoshihisa
(2022)
In Physical Review Letters
128(8).
- Contribution to journal › Article
- 2015
-
Mark
Understanding thio-effects in simple phosphoryl systems : role of solvent effects and nucleophile charge
Carvalho, Alexandra T P ; O'Donoghue, AnnMarie C ; Hodgson, David R W and Kamerlin, Shina C L LU
(2015)
In Organic and Biomolecular Chemistry
13(19).
p.8-5391
- Contribution to journal › Article
- 2014
-
Mark
Force field independent metal parameters using a nonbonded dummy model
Duarte, Fernanda ; Bauer, Paul ; Barrozo, Alexandre ; Amrein, Beat Anton ; Purg, Miha ; Åqvist, Johan and Kamerlin, Shina Caroline Lynn LU
(2014)
In The Journal of Physical Chemistry Part B
118(16).
p.62-4351
- Contribution to journal › Article
- 2012
-
Mark
Base-catalyzed dehydration of 3-substituted benzene cis-1,2-dihydrodiols : stabilization of a cyclohexadienide anion intermediate by negative aromatic hyperconjugation
Kudavalli, Jaya Satyanarayana ; Rao, S Nagaraja ; Bean, David E ; Sharma, Narain D ; Boyd, Derek R ; Fowler, Patrick W ; Gronert, Scott ; Kamerlin, Shina Caroline Lynn LU
; Keeffe, James R
and More O'Ferrall, Rory A
(2012)
In Journal of the American Chemical Society
134(34).
p.69-14056
- Contribution to journal › Article
- 2011
-
Mark
Theoretical comparison of p-nitrophenyl phosphate and sulfate hydrolysis in aqueous solution : implications for enzyme-catalyzed sulfuryl transfer
- Contribution to journal › Article
- 2010
-
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
- 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
- 2008
-
Mark
Dineopentyl phosphate hydrolysis : evidence for stepwise water attack
Kamerlin, Shina C L LU
; Williams, Nicholas H
and Warshel, Arieh
(2008)
In The Journal of Organic Chemistry
73(18).
p.9-6960
- Contribution to journal › Article
- 2002
-
Mark
Extraction of endoglucanase I (Cel7B) fusion proteins from Trichoderma reesei culture filtrate in a poly(ethylene glycol)-phosphate aqueous two-phase system
- Contribution to journal › Article