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  • Currently displaying 20181 - 20200 of 30213 publications
Author(s)
Publication title
Journal Name
Publication year
Simulating rare events in equilibrium or nonequilibrium stochastic systems.
RJ Allen, D Frenkel, PR ten Wolde
Journal of Chemical Physics
(2006)
124
Thermal and UV shape shifting of surface topography.
Z Yang, GA Herd, SM Clarke, AR Tajbakhsh, EM Terentjev, WTS Huck
J Am Chem Soc
(2006)
128
Nanoscale pipetting for controlled chemistry in small arrayed water droplets using a double-barrel pipet.
KT Rodolfa, A Bruckbauer, D Zhou, AI Schevchuk, YE Korchev, D Klenerman
Nano letters
(2006)
6
Genomic Data Analysis Using DNA Structure:  An Analysis of Conserved Nongenic Sequences and Ultraconserved Elements
EJ Gardiner, L Hirons, CA Hunter, P Willett
Journal of chemical information and modeling
(2006)
46
Immunomodulatory effects of Pseudomonas aeruginosa quorum sensing small molecule probes on mammalian macrophages.
GL Thomas, CM Bohner, HE Williams, CM Walsh, M Ladlow, M Welch, CE Bryant, DR Spring
Molecular bioSystems
(2006)
2
Effect of the coil-globule transition on the free-energy barrier for intrachain crystal nucleation
WB Hu, D Frenkel
The journal of physical chemistry. B
(2006)
110
Applications of the CSA-amplified PASS experiment.
RM Orr, MJ Duer
Solid State Nucl Magn Reson
(2006)
30
Novel anti-Markovnikov regioselectivity in the Wacker reaction of styrenes.
JA Wright, MJ Gaunt, JB Spencer
Chemistry – A European Journal
(2006)
12
Modeling and simulations of a bacterial outer membrane protein: OprF from Pseudomonas aeruginosa
S Khalid, PJ Bond, SS Deol, MSP Sansom
Proteins
(2006)
63
Comparison of COSPEC and two miniature ultraviolet spectrometer systems for SO2 measurements using scattered sunlight
T Elias, AJ Sutton, C Oppenheimer, KA Horton, H Garbeil, V Tsanev, AJS McGonigle, G Williams-Jones
Bulletin of Volcanology
(2006)
68
Solvent Effects and Conformational Stability of a Tripeptide
MV Fedorov, S Schumm, JM Goodman
Lecture Notes in Computer Science Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics
(2006)
4216
A pentanuclear oxovanadium(V) phosphate complex with phenanthroline
L Mafra, FAA Paz, F-N Shi, C Fernandez, T Trindade, J Klinowski, J Rocha
Inorganic Chemistry Communications
(2006)
9
Dynamic complexity of chaotic transitions in high-dimensional classical dynamics: Leu-Enkephalin folding
D Nerukh, G Karvounis, RC Glen
Lecture Notes in Computer Science Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics
(2006)
4216
Building structure-property predictive models using data assimilation
HY Mussa, DJ Lary, RC Glen
Lecture Notes in Computer Science Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics
(2006)
4216 LNBI
Solid-state NMR studies of molecular motion
MJ Duer
Annual Reports on NMR Spectroscopy
(2006)
59
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
Overcoming Energetic and Time Scale Barriers Using the Potential Energy Surface
DJ Wales, JM Carr, T James
Lecture Notes in Computational Science and Engineering
(2006)
49
Path resummations and the fermion sign problem
A Alavi, AJW Thom
Lecture Notes in Physics
(2006)
703
Waste-Recycling Monte Carlo
D Frenkel
Lecture Notes in Physics
(2006)
703
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