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  • Currently displaying 14461 - 14480 of 29644 publications
Author(s)
Publication title
Journal Name
Publication year
Can we build artificially intelligent chemists?
P Murray-Rust
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
244
UKRmol: a low-energy electron- and positron-molecule scattering suite
JM Carr, PG Galiatsatos, JD Gorfinkiel, AG Harvey, MA Lysaght, D Madden, Z Mašín, M Plummer, J Tennyson, HN Varambhia
The European Physical Journal D
(2012)
66
Characterization of the phosphatic mineral of the barnacle Ibla cumingi at atomic level by solid-state nuclear magnetic resonance: comparison with other phosphatic biominerals
DG Reid, MJ Mason, BKK Chan, MJ Duer
Journal of the Royal Society Interface
(2012)
9
Natural language parsing for semantic science
L Hawizy, D Lowe, H Barjat, D Jessop, P Murray-Rust
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
244
Novel Lithium Imides; Effects of -F, -CF3, and -CN Substituents on Lithium Battery Salt Stability and Dissociation
J SCHEERS, E JÓNSSON, P JACOBSSON, P JOHANSSON
Electrochemistry
(2012)
80
Automated extraction of reactions from the patent literature
DM Lowe, P Murray-Rust, RC Glen
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
243
Pharmacokinetic modelling of the anti-malarial drug artesunate and its active metabolite dihydroartemisinin
AJ Hall, MJ Chappell, JAD Aston, SA Ward
IFAC Proceedings Volumes
(2012)
45
Fluctuations in water, the hydrophobic effect and self-assembly
PS Varilly, AJ Patel, SN Jamadagni, H Acharya, MF Hagan, S Garde, D Chandler, TPJ Knowles, D Frenkel
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
244
Template-directed dynamic combinatorial chemistry
AR Stefankiewicz, M Sambrook, JKM Sanders
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
244
Self-assembly of topologically complex architectures
SP Black, JKM Sanders, JR Nitschke, AR Stefankiewicz, MMJ Smulders
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
244
Insight into the doping composition of iron oxyhydroxides from NMR hyperfine shifts: A magnetic and chemical Monte Carlo approach
AJ Ilott, DS Middlemiss, RJ Harrison, BL Phillips, CP Grey
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
244
Building well-defined glycoproteins
GJL Bernardes, BG Davis
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
243
Chemical site-selective protein modification: Development of a traceless vascular targeting ADC for cancer therapy
GJL Bernardes, D Neri, BG Davis
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
243
Discovery of a novel allosteric mechanism for the regulation of HCV NS3/4a protein function present across all genotypes
S Saalau-Bethell, A Woodhead, G Chessari, MG Carr, J Coyle, M Frederickson, B Graham, C Hamlett, S Hiscock, FP Holding, H Jhoti, R McMenamin, C Murray, P Pathuri, M Reader, D Rees, SJ Rich, CJ Richardson, N Thompson, ML Verdonk, M Vinkovic, PA Williams, Y Jeff
HEPATOLOGY
(2012)
56
Host-guest chemistry and magnetic properties of a new class of metal-organic face-capped capsules
RA Bilbeisi, J Nitschke
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
244
Denaturation of hiv-1 protease (pr) monomer by acetic acid: Mechanistic and trajectory insights from molecular dynamics simulations and nmr
A Borkar, MK Rout, RV Hosur
Journal of biomolecular structure & dynamics
(2012)
29
Understanding molecular simulation: From algorithms to applications
D Frenkel, B Smit
(2012)
Twenty five years of azadirachtins
HE Hummel, DF Hein, W Kraus, SV Ley, ED Morgan, H Schmutterer
MITTEILUNGEN DER DEUTSCHEN GESELLSCHAFT FUR ALLGEMEINE UND ANGEWANDTE ENTOMOLOGIE, BD 18
(2012)
18
Membrane lipid composition and its physicochemical properties define cell vulnerability to aberrant protein oligomers
E Evangelisti, C Cecchi, R Cascella, C Sgromo, M Becatti, CM Dobson, F Chiti, M Stefani
Journal of cell science
(2012)
125
One-step fabrication of supramolecular microcapsules from microfluidic droplets
J Zhang, R Coulston, O Scherman, C Abell
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
244