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  • Currently displaying 14401 - 14420 of 30236 publications
Author(s)
Publication title
Journal Name
Publication year
The semantics of Chemical Markup Language (CML) for computational chemistry : CompChem
W Phadungsukanan, M Kraft, JA Townsend, P Murray-Rust
Journal of cheminformatics
(2012)
4
Discovery of novel allosteric inhibitors of HCV NS3/4a enzyme via structure-based drug design Discovery of novel allosteric inhibitors of HCV NS3/4a enzyme via structure-based drug design
P Pathuri, SM Saalau-Bethell, AJ Woodhead, MG Carr, G Chessari, J Coyle, M Frederickson, B Graham, C Hamlett, SD Hiscock, FP Holding, H Jhoti, R McMenamin, CW Murray, M Reader, DC Rees, SJ Rich, CJ Richardson, N Thompson, ML Verdonk, M Vinkovic, PA Williams, J Yon
Acta Crystallographica Section A: Foundations and advances
(2012)
68
Four-site cooperative spin crossover in polymorphs of a mononuclear FeIIcomplex
AD Bond, A Lennartson, S Piligkos, CJ McKenzie
Acta Crystallographica Section A: Foundations and advances
(2012)
68
Solution and Solid-State Supramolecular Chemistry of Naphthalenediimides
GD Pantos, JKM Sanders
Acta Crystallographica Section A Foundations of Crystallography
(2012)
68
Halide Anions as Shape-Directing Agents for Obtaining High-Quality Anisotropic Gold Nanostructures
JS DuChene, W Niu, JM Abendroth, Q Sun, W Zhao, F Huo, WD Wei
Chemistry of Materials
(2012)
25
Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles
RB Best, X Zhu, J Shim, PEM Lopes, J Mittal, M Feig, AD Mackerell
J Chem Theory Comput
(2012)
8
Continuous Multiple Liquid–Liquid Separation: Diazotization of Amino Acids in Flow
DX Hu, M O'Brien, SV Ley
Organic Letters
(2012)
14
Fabrication of microgel particles with complex shape via selective polymerization of aqueous Ttwo-phase systems.
S Ma, J Thiele, X Liu, Y Bai, C Abell, WTS Huck
Small (Weinheim an der Bergstrasse, Germany)
(2012)
8
ADP ribosylation adapts an ER chaperone response to short-term fluctuations in unfolded protein load
JE Chambers, K Petrova, G Tomba, M Vendruscolo, D Ron
Journal of Cell Biology
(2012)
198
Kinetic mechanism of p53 oncogenic mutant aggregation and its inhibition.
R Wilcken, G Wang, FM Boeckler, AR Fersht
Proceedings of the National Academy of Sciences
(2012)
109
First-order rate-determining aggregation mechanism of p53 and its implications
G Wang, AR Fersht
Proc Natl Acad Sci U S A
(2012)
109
Expanding the genetic code of Drosophila melanogaster.
A Bianco, FM Townsley, S Greiss, K Lang, JW Chin
Nat Chem Biol
(2012)
8
Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism
IA Riddell, MMJ Smulders, JK Clegg, YR Hristova, B Breiner, JD Thoburn, JR Nitschke
Nat Chem
(2012)
4
On the Increase in Boundary Friction with Sliding Speed
S Campen, J Green, G Lamb, D Atkinson, H Spikes
Tribology Letters
(2012)
48
Quantification of chemical and physical processes influencing ozone during long-range transport using a trajectory ensemble
M Cain, J Methven, EJ Highwood
Atmospheric Chemistry and Physics
(2012)
12
Semantic physical science.
P Murray-Rust, HS Rzepa
Journal of cheminformatics
(2012)
4
Theoretical study of the importance of the spectator groups on the hydrolysis of phosphate triesters
JR Mora, AJ Kirby, F Nome
The Journal of organic chemistry
(2012)
77
Identifying novel adenosine receptor ligands by simultaneous proteochemometric modeling of rat and human bioactivity data
GJP van Westen, OO van den Hoven, R van der Pijl, T Mulder-Krieger, H de Vries, JK Wegner, AP Ijzerman, HWT van Vlijmen, A Bender
Journal of medicinal chemistry
(2012)
55
Composition-structure relationships in the Li-ion battery electrode material LiNi(0.5)Mn(1.5)O(4).
J Cabana, M Casas-Cabanas, FO Omenya, NA Chernova, D Zeng, MS Whittingham, CP Grey
Chemistry of materials : a publication of the American Chemical Society
(2012)
24
The use of spectroscopic imaging and mapping techniques in the characterisation and study of DLD-1 cell spheroid tumour models
JZ Zhang, NS Bryce, R Siegele, EA Carter, D Paterson, MD de Jonge, DL Howard, CG Ryan, TW Hambley
Integrative Biology
(2012)
4