Yusuf Hamied Department of Chemistry

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  • Currently displaying 20061 - 20080 of 31588 publications
Author(s)
Publication title
Journal Name
Publication year
Conformational Stability of Helicobacter pylori Flavodoxin FIT TO FUNCTION AT pH 5* * This work was supported in part by Grants BFU2004-01411, CTQ2005-00360/BQU, and SAF2004-07722 from the Ministerio de Educación y Ciencia, Spain, and Grant PM076/2006 from the Gobierno de Aragón, Spain. The costs of publication of this article were defrayed in part by the payment of page charges. This article must therefore be hereby marked “advertisement” in accordance with 18 U.S.C. Section 1734 solely to indicate this fact.
N Cremades, M Bueno, JL Neira, A Velázquez-Campoy, J Sancho
Journal of Biological Chemistry
(2007)
283
(doi: 10.1074/jbc.m705677200)
Accurate induction energies for small organic molecules. 2. Development and testing of distributed polarizability models against SAPT(DFT) energies
AJ Misquitta, AJ Stone, SL Price
J Chem Theory Comput
(2007)
4
(doi: 10.1021/ct700105f)
A classical point charge model study of system size dependence of oxidation and reorganization free energies in aqueous solution
R Ayala, M Sprik
Journal of Physical Chemistry B
(2007)
112
(doi: 10.1021/jp0748516)
Accurate Induction Energies for Small Organic Molecules:  1. Theory.
AJ Misquitta, AJ Stone
Journal of Chemical Theory and Computation
(2007)
4
(doi: 10.1021/ct700104t)
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: benchmarks approaching the complete basis set limit.
B Santra, A Michaelides, M Scheffler
The Journal of chemical physics
(2007)
127
(doi: 10.1063/1.2790009)
A Sydnone Cycloaddition Route to Pyrazole Boronic Esters
DL Browne, MD Helm, A Plant, JPA Harrity
Angew Chem Int Ed Engl
(2007)
46
(doi: 10.1002/anie.200703767)
Synthetic nucleic acid secondary structures containing the four stereoisomers of 1,4-bis(thymine-1-yl)butane-2,3-diol
MS Christensen, AD Bond, P Nielsen
Organic & Biomolecular Chemistry
(2007)
6
(doi: 10.1039/b713888a)
(1R,4R,7R,8R,9R)-8-Benzyloxy-7-benzyloxymethyl-2,5,10-trioxatricyclo[5.2.1.04,8]decan-9-ol
PK Sharma, P Nielsen, AD Bond
Acta Crystallographica Section E Structure Reports Online
(2007)
63
(doi: 10.1107/S1600536807053536)
Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine β-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency
PD Edwards, JS Albert, M Sylvester, D Aharony, D Andisik, O Callaghan, JB Campbell, RA Carr, G Chessari, M Congreve, M Frederickson, RHA Folmer, S Geschwindner, G Koether, K Kolmodin, J Krumrine, RC Mauger, CW Murray, L-L Olsson, S Patel, N Spear, G Tian
J Med Chem
(2007)
50
(doi: 10.1021/jm070829p)
Single-molecule level analysis of the subunit composition of the T cell receptor on live T cells.
JR James, SS White, RW Clarke, AM Johansen, PD Dunne, DL Sleep, WJ Fitzgerald, SJ Davis, D Klenerman
Proceedings of the National Academy of Sciences of the United States of America
(2007)
104
(doi: 10.1073/pnas.0700411104)
Clusters, liquids, and crystals of dialkyimidazolium salts. A combined perspective from ab initio and classical computer simulations
MG Del Pópolo, J Kohanoff, RM Lynden-Bell, C Pinilla
Accounts of chemical research
(2007)
40
(doi: 10.1021/ar700069c)
Optimized expanded ensembles for simulations involving molecular insertions and deletions. I. Closed systems.
FA Escobedo, FJ Martínez-Veracoechea
The Journal of Chemical Physics
(2007)
127
(doi: 10.1063/1.2800320)
Atmospheric transformation of enols: A potential secondary source of carboxylic acids in the urban troposphere
AT Archibald, MR McGillen, CA Taatjes, CJ Percival, DE Shallcross
Geophysical Research Letters
(2007)
34
(doi: 10.1029/2007gl031032)
Nucleophilic activity of a linked bis{guanidine} leading to formation of a dicationic C4N4-heterocycle.
MP Coles, SF Lee, SH Oakley, G Estiu, PB Hitchcock
Organic & Biomolecular Chemistry
(2007)
5
(doi: 10.1039/b715209d)
Does UV irradiation of PAH's synergistically increase their genotoxicity?
AY Omer, GDD Jones, PB Farmer, KIE McLuckie
MUTAGENESIS
(2007)
22
Learning the language of bacteria
JT Hodgkinson, M Welch, DR Spring
ACS Chemical Biology
(2007)
2
(doi: 10.1021/0700227k)
A flow process for the multistep synthesis of the alkaloid natural product oxomaritidine: A new paradigm for molecular assembly
IR Baxendale, J Deeley, CM Griffiths-Jones, SV Ley, S Saaby, GK Tranmer
Chemtracts
(2007)
20
Mutagenicity of tamoxifen-DNA adducts in human endometrial cells and in silico prediction of p53 mutation hotspots
E Liapis, PD Lewis, KIE McLuckie, PB Farmer, K Brown
MUTAGENESIS
(2007)
22
Optimized effective potentials from electron densities in finite basis sets.
FA Bulat, T Heaton-Burgess, AJ Cohen, W Yang
The Journal of chemical physics
(2007)
127
(doi: 10.1063/1.2800021)
Comparison of simple perturbation-theory estimates for the liquid-solid and the liquid-vapor interfacial free energies of Lennard-Jones systems
C Valeriani, Z-J Wang, D Frenkel
Molecular Simulation
(2007)
33
(doi: 10.1080/08927020701579352)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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