Yusuf Hamied Department of Chemistry

Publications

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  • Currently displaying 14121 - 14140 of 30138 publications
Author(s)
Publication title
Journal Name
Publication year
Analytical first and second derivatives for a fully polarizable QM/classical hamiltonian
F Lipparini, C Cappelli, G Scalmani, N De Mitri, V Barone
Journal of Chemical Theory and Computation
(2012)
8
(doi: 10.1021/ct300635c)
Connecting Macroscopic Observables and Microscopic Assembly Events in Amyloid Formation Using Coarse Grained Simulations
NS Bieler, TPJ Knowles, D Frenkel, R Vácha
PLoS Computational Biology
(2012)
8
(doi: 10.1371/journal.pcbi.1002692)
The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with hydrocinnamoyl-derivatized PLHSpTA peptide
P Sledz, M Hyvonen, YS Tan, S Lang, D Spring, C Abell, RB Best
(2012)
(doi: 10.2210/pdb4e67/pdb)
Rapid formation of secondary organic aerosol from the photolysis of 1-nitronaphthalene: role of naphthoxy radical self-reaction.
RM Healy, Y Chen, I Kourtchev, M Kalberer, D O'Shea, JC Wenger
Environmental science & technology
(2012)
46
(doi: 10.1021/es302841j)
Aldol reactions catalyzed by L-proline functionalized polymeric nanoreactors in water
A Lu, P Cotanda, JP Patterson, DA Longbottom, RK O'Reilly
Chemical Communications
(2012)
48
(doi: 10.1039/c2cc35170f)
Twisting transition between crystalline and fibrillar phases of aggregated peptides
TPJ Knowles, A De Simone, AW Fitzpatrick, A Baldwin, S Meehan, L Rajah, M Vendruscolo, ME Welland, CM Dobson, EM Terentjev
Physical Review Letters
(2012)
109
(doi: 10.1103/PhysRevLett.109.158101)
Kinetic control of catalytic CVD for high-quality graphene at low temperatures
RS Weatherup, B Dlubak, S Hofmann
ACS Nano
(2012)
6
(doi: 10.1021/nn303674g)
Flow Microwave Technology and Microreactors in Synthesis
IR Baxendale, C Hornung, SV Ley, J de Mata Muñoz Molina, A Wikström
Australian Journal of Chemistry
(2012)
66
(doi: 10.1071/ch12365)
A two-directional strategy for the diversity-oriented synthesis of macrocyclic scaffolds
KMG O'Connell, HSG Beckmann, L Laraia, HT Horsley, A Bender, AR Venkitaraman, DR Spring
Organic & Biomolecular Chemistry
(2012)
10
(doi: 10.1039/c2ob26272j)
Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide
Y Oh, CW Nickels, F Garcia, W Jones, T Friščić
Crystengcomm
(2012)
14
(doi: 10.1039/c2ce25653c)
Application of inhomogeneous fluid solvation theory to model the distribution and thermodynamics of water molecules around biomolecules
DJ Huggins
Physical Chemistry Chemical Physics
(2012)
14
(doi: 10.1039/c2cp42631e)
A state-to-state dynamical study of the Br + H 2 reaction: Comparison of quantum and classical trajectory results
AN Panda, D Herráez-Aguilar, PG Jambrina, J Aldegunde, SC Althorpe, FJ Aoiz
Physical Chemistry Chemical Physics
(2012)
14
(doi: 10.1039/c2cp41825h)
Spin-transfer pathways in paramagnetic lithium transition-metal phosphates from combined broadband isotropic solid-state MAS NMR spectroscopy and DFT calculations
RJ Clément, AJ Pell, DS Middlemiss, FC Strobridge, JK Miller, MS Whittingham, L Emsley, CP Grey, G Pintacuda
J Am Chem Soc
(2012)
134
(doi: 10.1021/ja306876u)
A highly compliant protein native state with a spontaneous-like mechanical unfolding pathway.
PO Heidarsson, I Valpapuram, C Camilloni, A Imparato, G Tiana, FM Poulsen, BB Kragelund, C Cecconi
Journal of the American Chemical Society
(2012)
134
(doi: 10.1021/ja305862m)
Taming the First-Row Diatomics: A Full Configuration Interaction Quantum Monte Carlo Study
D Cleland, GH Booth, C Overy, A Alavi
J Chem Theory Comput
(2012)
8
(doi: 10.1021/ct300504f)
Dual template synthesis of a highly mesoporous SSZ-13 zeolite with improved stability in the methanol-to- olefins reaction
L Wu, V Degirmenci, PCMM Magusin, BM Szyja, EJM Hensen
Chemical Communications
(2012)
48
(doi: 10.1039/c2cc33994c)
Selective RNA versus DNA G-quadruplex targeting by in situ click chemistry.
M Di Antonio, G Biffi, A Mariani, E-A Raiber, R Rodriguez, S Balasubramanian
Angewandte Chemie (International ed. in English)
(2012)
51
(doi: 10.1002/anie.201206281)
Salt Anions Promote the Conversion of HypF-N into Amyloid-Like Oligomers and Modulate the Structure of the Oligomers and the Monomeric Precursor State
S Campioni, B Mannini, JP López-Alonso, IN Shalova, A Penco, E Mulvihill, DV Laurents, A Relini, F Chiti
Journal of Molecular Biology
(2012)
424
(doi: 10.1016/j.jmb.2012.09.023)
Improved description of soft layered materials with van der Waals density functional theory
G Graziano, J Klimeš, F Fernandez-Alonso, A Michaelides
Journal of physics. Condensed matter : an Institute of Physics journal
(2012)
24
(doi: 10.1088/0953-8984/24/42/424216)
Lithocholic acid is an endogenous inhibitor of MDM4 and MDM2
SM Vogel, MR Bauer, AC Joerger, R Wilcken, T Brandt, DB Veprintsev, TJ Rutherford, AR Fersht, FM Boeckler
Proceedings of the National Academy of Sciences of the United States of America
(2012)
109
(doi: 10.1073/pnas.1215060109)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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