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  • Currently displaying 18941 - 18960 of 30398 publications
Author(s)
Publication title
Journal Name
Publication year
The Closed-Form Expansion of the Inverse Laplace Transform
AD Bond
IEEE Transactions on Education
(2007)
8
Conformational stability of Helicobacter pylori flavodoxin -: Fit to function at pH 5
N Cremades, M Bueno, JL Neira, A Velázquez-Campoy, J Sancho
J Biol Chem
(2007)
283
Accurate induction energies for small organic molecules. 2. Development and testing of distributed polarizability models against SAPT(DFT) energies
AJ Misquitta, AJ Stone, SL Price
Journal of chemical theory and computation
(2007)
4
Accurate Induction Energies for Small Organic Molecules:  1. Theory.
AJ Misquitta, AJ Stone
Journal of chemical theory and computation
(2007)
4
A Classical Point Charge Model Study of System Size Dependence of Oxidation and Reorganization Free Energies in Aqueous Solution
R Ayala, M Sprik
The journal of physical chemistry. B
(2007)
112
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: benchmarks approaching the complete basis set limit.
B Santra, A Michaelides, M Scheffler
The Journal of chemical physics
(2007)
127
A Sydnone Cycloaddition Route to Pyrazole Boronic Esters
DL Browne, MD Helm, A Plant, JPA Harrity
Angew Chem Int Ed Engl
(2007)
46
Synthetic nucleic acid secondary structures containing the four stereoisomers of 1,4-bis(thymine-1-yl)butane-2,3-diol
MS Christensen, AD Bond, P Nielsen
Organic & Biomolecular Chemistry
(2007)
6
Application of fragment-based lead generation to the discovery of novel, cyclic amidine beta-secretase inhibitors with nanomolar potency, cellular activity, and high ligand efficiency.
PD Edwards, JS Albert, M Sylvester, D Aharony, D Andisik, O Callaghan, JB Campbell, RA Carr, G Chessari, M Congreve, M Frederickson, RHA Folmer, S Geschwindner, G Koether, K Kolmodin, J Krumrine, RC Mauger, CW Murray, L-L Olsson, S Patel, N Spear, G Tian
Journal of medicinal chemistry
(2007)
50
(1R,4R,7R,8R,9R)-8-benzyloxy-7-benzyloxymethyl-2,5,10-trioxa-tricyclo[5.2.1.04,8]decan-9-ol
PK Sharma, P Nielsen, AD Bond
Acta Crystallographica Section E: Crystallographic Communications
(2007)
63
Single-molecule level analysis of the subunit composition of the T cell receptor on live T cells
JR James, SS White, RW Clarke, AM Johansen, PD Dunne, DL Sleep, WJ Fitzgerald, SJ Davis, D Klenerman
Proceedings of the National Academy of Sciences
(2007)
104
Clusters, liquids, and crystals of dialkyimidazolium salts. A combined perspective from ab initio and classical computer simulations.
MG Del Pópolo, J Kohanoff, RM Lynden-Bell, C Pinilla
Acc Chem Res
(2007)
40
Nucleophilic activity of a linked bis{guanidine} leading to formation of a dicationic C4N4-heterocycle
MP Coles, SF Lee, SH Oakley, G Estiu, PB Hitchcock
Organic & Biomolecular Chemistry
(2007)
5
Atmospheric transformation of enols: A potential secondary source of carboxylic acids in the urban troposphere
AT Archibald, MR McGillen, CA Taatjes, CJ Percival, DE Shallcross
Geophysical Research Letters
(2007)
34
Optimized expanded ensembles for simulations involving molecular insertions and deletions. I. Closed systems
FA Escobedo, FJ Martínez-Veracoechea
Journal of Chemical Physics
(2007)
127
Optimized effective potentials from electron densities in finite basis sets.
FA Bulat, T Heaton-Burgess, AJ Cohen, W Yang
The Journal of chemical physics
(2007)
127
Molecular recognition controls the organization of mixed self-organized bis-urea-based mineralization templates for CaCO3
BP Pichon, S Cantin, MMJ Smulders, MRJ Vos, N Chebotareva, DC Popescu, O van Asselen, F Perrot, R Sijbesma, NAJM Sommerdijk
Langmuir : the ACS journal of surfaces and colloids
(2007)
23
Investigating the Specific Interactions between Carbonic Anhydrase and a Sulfonamide Inhibitor by Single-Molecule Force Spectroscopy
SG Kamper, L Porter-Peden, R Blankespoor, K Sinniah, D Zhou, C Abell, T Rayment
Langmuir : the ACS journal of surfaces and colloids
(2007)
23
A soft effective segment representation of semidilute polymer solutions.
C Pierleoni, B Capone, J-P Hansen
J Chem Phys
(2007)
127
Comparison of simple perturbation-theory estimates for the liquid-solid and the liquid-vapor interfacial free energies of Lennard-Jones systems
C Valeriani, Z-J Wang, D Frenkel
Molecular Simulation
(2007)
33