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  • Currently displaying 13761 - 13780 of 29639 publications
Author(s)
Publication title
Journal Name
Publication year
Small-molecule inhibitors of the interaction between the E3 ligase VHL and HIF1α
DL Buckley, JL Gustafson, I Van Molle, AG Roth, HS Tae, PC Gareiss, WL Jorgensen, A Ciulli, CM Crews
Angew Chem Int Ed Engl
(2012)
51
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
Excitonic coupling in linear and trefoil trimer perylenediimide molecules probed by single-molecule spectroscopy.
H Yoo, S Furumaki, J Yang, J-E Lee, H Chung, T Oba, H Kobayashi, B Rybtchinski, TM Wilson, MR Wasielewski, M Vacha, D Kim
J Phys Chem B
(2012)
116
Analytical first and second derivatives for a fully polarizable QM/classical hamiltonian
F Lipparini, C Cappelli, G Scalmani, N De Mitri, V Barone
J Chem Theory Comput
(2012)
8
Intramolecular nitrone dipolar cycloadditions: control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids.
AJ Hodges, JP Adams, AD Bond, AB Holmes, NJ Press, SD Roughley, JH Ryan, S Saubern, CJ Smith, MD Turnbull, AF Newton
Organic & biomolecular chemistry
(2012)
10
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 and Technology
(2012)
46
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)
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
Aldol reactions catalyzed by l-proline functionalized polymeric nanoreactors in water
A Lu, P Cotanda, JP Patterson, DA Longbottom, RK O'Reilly
Chem Commun (Camb)
(2012)
48
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
Kinetic Control of Catalytic CVD for High-Quality Graphene at Low Temperatures
RS Weatherup, B Dlubak, S Hofmann
ACS Nano
(2012)
6
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
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
Org Biomol Chem
(2012)
10
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 : PCCP
(2012)
14
Application of inhomogeneous fluid solvation theory to model the distribution and thermodynamics of water molecules around biomolecules.
DJ Huggins
Physical chemistry chemical physics : PCCP
(2012)
14
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 (Cambridge, England)
(2012)
48
Taming the first-row diatomics: A full configuration interaction quantum Monte Carlo study
D Cleland, GH Booth, C Overy, A Alavi
Journal of Chemical Theory and Computation
(2012)
8
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
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
Selective RNA versus DNA G-quadruplex targeting by situ click chemistry
M Di Antonio, G Biffi, A Mariani, E-A Raiber, R Rodriguez, S Balasubramanian
Angew Chem Int Ed Engl
(2012)
51