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  • Currently displaying 15061 - 15080 of 30651 publications
Author(s)
Publication title
Journal Name
Publication year
Force-field dependence of chignolin folding and misfolding: comparison with experiment and redesign.
P Kührová, A De Simone, M Otyepka, RB Best
Biophysical journal
(2012)
102
Quantifying homo- and heteromolecular hydrogen bonds as a guide for adduct formation
A Delori, PTA Galek, E Pidcock, W Jones
Chemistry (Weinheim an der Bergstrasse, Germany)
(2012)
18
A core subunit of Polycomb repressive complex 1 is broadly conserved in function but not primary sequence.
LY Beh, LJ Colwell, NJ Francis
Proceedings of the National Academy of Sciences
(2012)
109
Prediction of invasion from the early stage of an epidemic.
FJ Pérez-Reche, FM Neri, SN Taraskin, CA Gilligan
Journal of The Royal Society Interface
(2012)
9
Highly Efficient Ring-Opening Reaction of Azlactone-Based Copolymer Platforms for the Design of Functionalized Materials
A Laquièvre, NS Allaway, J Lyskawa, P Woisel, J-M Lefebvre, D Fournier
Macromol Rapid Commun
(2012)
33
Facile backbone (1H, 15N, 13Ca, and 13C') assignment of 13C/15N-labeled proteins using orthogonal projection planes of HNN and HN(C)N experiments and its automation.
D Kumar, A Borkar, RV Hosur
Magnetic Resonance in Chemistry
(2012)
50
Intrinsic disorder modulates protein self-assembly and aggregation.
A De Simone, C Kitchen, AH Kwan, M Sunde, CM Dobson, D Frenkel
Proc Natl Acad Sci U S A
(2012)
109
Discovery of potent dual inhibitors of both XIAP and cIAP1 using fragment based drug discovery
G Chessari, I Buck, E Chiarparin, J Day, M Frederickson, K Hearn, T Heightman, P Hillmann, A Iqbal, C Johnson, J Lewis, V Martins, C Richardson, T Smyth, E Tamanini, N Thompson, G Ward, G Williams, P Williams, N Wilsher, A Woolford
Cancer Research
(2012)
72
Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 1. Generalized Born
AW Götz, MJ Williamson, D Xu, D Poole, S Le Grand, RC Walker
J Chem Theory Comput
(2012)
8
Design, synthesis and biological evaluation of non-natural modulators of quorum sensing in Pseudomonas aeruginosa
JT Hodgkinson, WRJD Galloway, M Wright, IK Mati, RL Nicholson, M Welch, DR Spring
Organic and Biomolecular Chemistry
(2012)
10
Analytical evaluation of Fukui functions and real-space linear response function.
W Yang, AJ Cohen, F De Proft, P Geerlings
Journal of Chemical Physics
(2012)
136
Expanding the tools available for direct ortho cupration – targeting lithium phosphidocuprates
PJ Harford, J Haywood, MR Smith, BN Bhawal, PR Raithby, M Uchiyama, AEH Wheatley
Dalton transactions (Cambridge, England : 2003)
(2012)
41
Predicting cavity formation free energy: how far is the Gaussian approximation valid?
T Head-Gordon, RM Lynden-Bell, JR Dowdle, PJ Rossky
Physical chemistry chemical physics : PCCP
(2012)
14
Interview with Jeremy Sanders
J Sanders
Chemical Communications
(2012)
48
Diversity-oriented synthesis: producing chemical tools for dissecting biology.
CJ O' Connor, HSG Beckmann, DR Spring
Chem Soc Rev
(2012)
41
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
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
(2012)
109
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
J Am Chem Soc
(2012)
134
Pharmaceutical crystallography: Is there a devil in the details?
AD Bond
CrystEngComm
(2012)
14