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  • Currently displaying 19761 - 19780 of 30726 publications
Author(s)
Publication title
Journal Name
Publication year
Bioclipse: an open source workbench for chemo- and bioinformatics
O Spjuth, T Helmus, EL Willighagen, S Kuhn, M Eklund, J Wagener, P Murray-Rust, C Steinbeck, JES Wikberg
BMC bioinformatics
(2007)
8
Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of β-secretase
M Congreve, D Aharony, J Albert, O Callaghan, J Campbell, RAE Carr, G Chessari, S Cowan, PD Edwards, M Frederickson, R McMenamin, CW Murray, S Patel, N Wallis
Journal of medicinal chemistry
(2007)
50
Functional tetrametallic linker modules for coordination polymers and metal-organic frameworks.
FB Johansson, AD Bond, CJ McKenzie
Inorganic Chemistry
(2007)
46
Ab initio molecular dynamics study of ascorbic acid in aqueous solution
F Costanzo, M Sulpizi, J Vandevondele, RGD Valle, M Sprik
Molecular Physics
(2007)
105
Synthesis of New Strapped Porphyrins via a Bisdipyrromethane Condensation
J Sanders, D Gonçalves
Synlett
(2007)
2007
Bilayer deformation by the Kv channel voltage sensor domain revealed by self-assembly simulations.
PJ Bond, MSP Sansom
Proceedings of the National Academy of Sciences
(2007)
104
Simple off-lattice model to study the folding and aggregation of peptides
N Combe, D Frenkel
Molecular Physics
(2007)
105
Conformational entropy of alanine versus glycine in protein denatured states.
KA Scott, DOV Alonso, S Sato, AR Fersht, V Daggett
Proc Natl Acad Sci U S A
(2007)
104
Reaction site mapping of xenobiotic biotransformations.
S Boyer, CH Arnby, L Carlsson, J Smith, V Stein, RC Glen
Journal of chemical information and modeling
(2007)
47
Transition metal NMR chemical shifts from optimized effective potentials
AM Teale, AJ Cohen, DJ Tozer
J Chem Phys
(2007)
126
Energy landscape view of nonideality in binary mixtures
SE Abraham, D Chakrabarti, B Bagchi
The Journal of chemical physics
(2007)
126
Synthesis of CaO-P2O5-SiO2 monolithic with double pore structure by peg/starch
HB Yang, Q Chen, L Song, HP Li, JY Lu, WZ Zhang
Key Engineering Materials
(2007)
330-332 II
Atom-atom potentials from ab initio calculations
AJ Stone, AJ Misquitta
International Reviews in Physical Chemistry
(2007)
26
Analysis of 'downhill' protein folding
N Ferguson, TD Sharpe, CM Johnson, PJ Schartau, AR Fersht
Nature
(2007)
445
Diclofenac solubility: Independent determination of the intrinsic solubility of three crystal forms
A Llinàs, JC Burley, KJ Box, RC Glen, JM Goodman
Journal of medicinal chemistry
(2007)
50
The asymmetric synthesis of β-lactams:: HETPHOX/Cu(I) mediated synthesis via the Kinugasa reaction
AG Coyne, H Müller-Bunz, PJ Guiry
Tetrahedron: Asymmetry
(2007)
18
Polarization Relaxation in an Ionic Liquid Confined between Electrified Walls
C Pinilla, MG Del Pópolo, J Kohanoff, RM Lynden-Bell
The journal of physical chemistry. B
(2007)
111
Structure, mechanism and catalytic duality of thiamine-dependent enzymes.
RAW Frank, FJ Leeper, BF Luisi
Cellular and Molecular Life Sciences
(2007)
64
Proton and anion control of framework complexity in copper(II) complex structures derived from 2-(hydroxymethyl)pyridine
B Antonioli, DJ Bray, JK Clegg, KA Jolliffe, K Gloe, K Gloe, LF Lindoy
Polyhedron
(2007)
26
Synthesis and characterization of poly(3-sulfopropylmethacrylate) brushes for potential antibacterial applications.
M Ramstedt, N Cheng, O Azzaroni, D Mossialos, HJ Mathieu, WTS Huck
Langmuir : the ACS journal of surfaces and colloids
(2007)
23