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  • Currently displaying 14221 - 14240 of 29681 publications
Author(s)
Publication title
Journal Name
Publication year
Predicting cavity formation free energy: how far is the Gaussian approximation valid?
T Head-Gordon, RM Lynden-Bell, JR Dowdle, PJ Rossky
Phys Chem Chem Phys
(2012)
14
Diversity-oriented synthesis: producing chemical tools for dissecting biology.
CJ O' Connor, HSG Beckmann, DR Spring
Chem Soc Rev
(2012)
41
Correction: Corrigendum: The BioPAX community standard for pathway data sharing
E Demir, MP Cary, S Paley, K Fukuda, C Lemer, I Vastrik, G Wu, P D'Eustachio, C Schaefer, J Luciano, F Schacherer, I Martinez-Flores, Z Hu, V Jimenez-Jacinto, G Joshi-Tope, K Kandasamy, AC Lopez-Fuentes, H Mi, E Pichler, I Rodchenkov, A Splendiani, S Tkachev, J Zucker, G Gopinath, H Rajasimha, R Ramakrishnan, I Shah, M Syed, N Anwar, O Babur, M Blinov, E Brauner, D Corwin, S Donaldson, F Gibbons, R Goldberg, P Hornbeck, A Luna, P Murray-Rust, E Neumann, O Reubenacker, M Samwald, M van Iersel, S Wimalaratne, K Allen, B Braun, M Whirl-Carrillo, KH Cheung, K Dahlquist, A Finney, M Gillespie, E Glass, L Gong, R Haw, M Honig, O Hubaut, D Kane, S Krupa, M Kutmon, J Leonard, D Marks, D Merberg, V Petri, A Pico, D Ravenscroft, L Ren, N Shah, M Sunshine, R Tang, R Whaley, S Letovksy, KH Buetow, A Rzhetsky, V Schachter, BS Sobral, U Dogrusoz, S McWeeney, M Aladjem, E Birney, J Collado-Vides, S Goto, M Hucka, N Le Novère, N Maltsev, A Pandey, P Thomas, E Wingender, PD Karp, C Sander, GD Bader
Nature Biotechnology
(2012)
30
Supramolecular Chemistry
JR Nitschke
(2012)
4
Nature and Structure of Aluminum Surface Sites Grafted on Silica from a Combination of High-Field Aluminum-27 Solid-State NMR Spectroscopy and First-Principles Calculations
RN Kerber, A Kermagoret, E Callens, P Florian, D Massiot, A Lesage, C Copéret, F Delbecq, X Rozanska, P Sautet
Journal of the American Chemical Society
(2012)
134
Staphylococcal biofilm-forming protein has a contiguous rod-like structure
DT Gruszka, JA Wojdyla, RJ Bingham, JP Turkenburg, IW Manfield, A Steward, AP Leech, JA Geoghegan, TJ Foster, J Clarke, JR Potts
Proceedings of the National Academy of Sciences of the United States of America
(2012)
109
Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids
AM Moragues-Bartolome, W Jones, AJ Cruz-Cabeza
CrystEngComm
(2012)
14
Pharmaceutical crystallography: is there a devil in the details?
AD Bond
CrystEngComm
(2012)
14
Synthesis and biological profiling of tellimagrandin I and analogues reveals that the medium ring can significantly modulate biological activity
S Zheng, L Laraia, CJ O'Connor, D Sorrell, YS Tan, Z Xu, AR Venkitaraman, W Wu, DR Spring
Organic and Biomolecular Chemistry
(2012)
10
The role of mechanochemistry and supramolecular design in the development of pharmaceutical materials
A Delori, T Friščić, W Jones
CrystEngComm
(2012)
14
Structure of triplex DNA in the gas phase.
A Arcella, G Portella, ML Ruiz, R Eritja, M Vilaseca, V Gabelica, M Orozco
J Am Chem Soc
(2012)
134
Recognizing pitfalls in virtual screening: a critical review.
T Scior, A Bender, G Tresadern, JL Medina-Franco, K Martínez-Mayorga, T Langer, K Cuanalo-Contreras, DK Agrafiotis
J Chem Inf Model
(2012)
52
Comparative structural effects of HIV-1 Gag and nucleocapsid proteins in binding to and unwinding of the viral RNA packaging signal.
NM Bell, JC Kenyon, S Balasubramanian, AML Lever
Biochemistry
(2012)
51
Ligated Organocuprates: An A–Z Routemap of Mechanism and Application
S Woodward, D Willcox
(2012)
In situ X-ray structural studies of a flexible host responding to incremental gas loading.
T Jacobs, GO Lloyd, J-A Gertenbach, KK Müller-Nedebock, C Esterhuysen, LJ Barbour
Angewandte Chemie International Edition
(2012)
51
Conformational dynamics of capping protein and interaction partners: Simulation studies (vol 80, pg 1066, 2012)
S Lukman, RC Robinson, D Wales, CS Verma
Proteins: Structure, Function, and Bioinformatics
(2012)
80
Analyse der Energiebarrieren für das Wachstum von Amyloidfibrillen
AK Buell, A Dhulesia, DA White, TPJ Knowles, CM Dobson, ME Welland
Angewandte Chemie
(2012)
124
Detailed Analysis of the Energy Barriers for Amyloid Fibril Growth
AK Buell, A Dhulesia, DA White, TPJ Knowles, CM Dobson, ME Welland
Angew Chem Int Ed Engl
(2012)
51
Halogen-enriched fragment libraries as leads for drug rescue of mutant p53
R Wilcken, X Liu, MO Zimmermann, TJ Rutherford, AR Fersht, AC Joerger, FM Boeckler
J Am Chem Soc
(2012)
134
Failure of the random-phase-approximation correlation energy
P Mori-Sánchez, AJ Cohen, W Yang
Physical Review A Atomic Molecular and Optical Physics
(2012)
85