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  • Currently displaying 19761 - 19780 of 29853 publications
Author(s)
Publication title
Journal Name
Publication year
Redox free energies from vertical energy gaps: Ab initio molecular dynamics implementation
J Blumberger, M Sprik
COMPUTER SIMULATIONS IN CONDENSED MATTER SYSTEMS: FROM MATERIALS TO CHEMICAL BIOLOGY, VOL 2
(2006)
704
CARB 97-One-pot direct protein glycosylation
DP Gamblin, GJL Bernardes, BG Davis
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2006)
232
Anatomy of a grid-enabled molecular simulation study: the compressibility of amorphous silica
AM Walker, MT Dove, LA Sullivan, K Trachenko, RP Bruin, TO White, P Murray-RuSt, RP Tyer, PA Couch, IT Todorov, W Smith, KK van Dam
PROCEEDINGS OF THE UK E-SCIENCE ALL HANDS MEETING 2006
(2006)
Functionalised fibrils for bio-nanotechnology
SL Gras, AM Squires, CM Dobson, CE MacPhee
2006 INTERNATIONAL CONFERENCE ON NANOSCIENCE AND NANOTECHNOLOGY, VOLS 1 AND 2
(2006)
Novel Hsp90 inhibitors exhibiting in vivo xenograft activity discovered using fragment-based drug discovery & structure based drug design.
JF Lyons, G Chessari, M Congreve, L Fazal, M Frederickson, B Graham, J Lewis, CW Murray, S Patel, AJ Woodhead
CANCER RESEARCH
(2006)
66
Application and uses of CML within the eMinerals project
TOH White, P Murray-Rust, PA Couch, RP Tyer, RP Bruin, IT Todorov, DJ Wilson, MT Dove, KF Austen, SC Parker
Proceedings of the UK e-Science All Hands Meeting 2006
(2006)
A new injectable tissue engineered scaffold for regenerative medicine
H Hosseinkhani, M Hosseinkhani, H Kobayashi, IEEE
2006 International Conference on Microtechnologies in Medicine and Biology
(2006)
Theory of C 2H x Species on Pt110(1 x 2): Structure, Stability, and Thermal Chemistry.
AT Anghel, SJ Jenkins, DJ Wales, DA King
J. Phys. Chem. B
(2006)
110
Solvent Effects and Conformational Stability of a Tripeptide.
MV Fedorov, S Schumm, JM Goodman
CompLife
(2006)
4216
Light propagation in tunable photonic materials
DS Wiersma, J Bertolotti, S Gottardo, F Intonti, S Mujumdar, R Sapienza, C Toninelli, S Vignolini
Optics Infobase Conference Papers
(2006)
53
Thermodynamics of water octamer in a uniform electric field (5 pages).
J Hernández-Rojas, BS Gonzalez, T James, DJ Wales
J. Chem. Phys.
(2006)
125
Synthesis of monolithic silica materials with meso macro-porous double-pore structure
H Yang, J Li, Q Chen, L Song, J Lu
Kuei Suan Jen Hsueh Pao Journal of the Chinese Ceramic Society
(2006)
34
Disruption of the copper efflux pump (CopA) of Serratia marcescens ATCC 274 pleiotropically affects copper sensitivity and production of the tripyrrole secondary metabolite, prodigiosin
NR Williamson, HT Simonsen, AKP Harris, FJ Leeper, GPC Salmond
Journal of industrial microbiology & biotechnology
(2006)
33
Polymer-Supported Reagents and Scavengers in Synthesis in Comprehensive Medicinal Chemistry II
RM Myers, SV Ley, IR Baxendale
(2006)
3
Methane and carbon dioxide emissions from simulated anaerobic swine manure treatment lagoons under summer conditions
DW Hamilton, IN Kourtchev, PM Ndegwa, HJ Cumba, F Gioelli
T ASAE
(2006)
49
Membrane Protein Simulations: Modelling a Complex Environment
PJ Bond, J Cuthbertson, SS Deol, LR Forrest, J Johnston, G Patargias, MSP Sansom
Lecture Notes in Computational Science and Engineering
(2006)
49
Mixed ligand helicates and mesocates
TK Ronson, H Adams, T Riis-Johannessen, JC Jeffery, MD Ward
New Journal of Chemistry
(2006)
30
Solid-State NMR Studies of Molecular Motion
MJ Duer
ANNUAL REPORTS ON NMR SPECTROSCOPY, VOL 59
(2006)
59
An atomistic MD simulation and pair-distribution-function study of disorder and reactivity of α-AlF 3 nanoparticles
S Chaudhuri, P Chupas, BJ Morgan, PA Madden, CP Grey
Phys. Chem. Chem. Phys.
(2006)
8
Exploring the catalytic activity of a noble metal: The Ag catalyzed ethylene epoxidation reaction
M-L BOCQUET, A MICHAELIDES
(2006)