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  • Currently displaying 17901 - 17920 of 29636 publications
Author(s)
Publication title
Journal Name
Publication year
Relaxation of caloric curves on complex potential energy surfaces.
F Calvo, DJ Wales
The Journal of chemical physics
(2008)
128
Measurement of amyloid fibril length distributions by inclusion of rotational motion in solution NMR diffusion measurements.
AJ Baldwin, SJ Anthony-Cahill, TPJ Knowles, G Lippens, J Christodoulou, PD Barker, CM Dobson
Angewandte Chemie (International ed. in English)
(2008)
47
Engineering polymer informatics: Towards the computer-aided design of polymers
N Adams, P Murray‐Rust
Macromolecular Rapid Communications
(2008)
29
Distributed chemical computing using ChemStar: an open source java remote method invocation architecture applied to large scale molecular data from PubChem.
M Karthikeyan, S Krishnan, AK Pandey, A Bender, A Tropsha
Journal of chemical information and modeling
(2008)
48
Binding-induced folding of a natively unstructured transcription factor
AG Turjanski, JS Gutkind, RB Best, G Hummer
PLoS computational biology
(2008)
4
CrystalEye - From Desktop to Data Repository
OJ Downing, P Murray-Rust, NE Day
http://pubs.or08.ecs.soton.ac.uk/
(2008)
Mixing in Adsorbed Monolayers:  Perfluorinated Alkanes
JE Parker, SM Clarke
Langmuir : the ACS journal of surfaces and colloids
(2008)
24
Automated derivation of structural class symbols and extended Z′ descriptors for molecular crystal structures in the Cambridge Structural Database
AD Bond
CrystEngComm
(2008)
10
Development of quantitative cell-based enzyme assays in microdroplets.
A Huebner, LF Olguin, D Bratton, G Whyte, WTS Huck, AJ de Mello, JB Edel, C Abell, F Hollfelder
Anal Chem
(2008)
80
Proton transfer in a polar solvent from ring polymer reaction rate theory
R Collepardo-Guevara, IR Craig, DE Manolopoulos
J Chem Phys
(2008)
128
Coarse-grained MD simulations of membrane protein-bilayer self-assembly.
KA Scott, PJ Bond, A Ivetac, AP Chetwynd, S Khalid, MSP Sansom
Structure
(2008)
16
Sensitized Detection of Inhibitory Fragments and Iterative Development of Non‐Peptidic Protease Inhibitors by Dynamic Ligation Screening
MF Schmidt, A Isidro-Llobet, M Lisurek, A El-Dahshan, J Tan, R Hilgenfeld, J Rademann
Angewandte Chemie International Edition
(2008)
47
Total synthesis of spirastrellolide A methyl ester - Part 1: Synthesis of an advanced C17-C40 bis-spiroacetal subunit
I Paterson, EA Anderson, SM Dalby, JH Lim, J Genovino, P Maltas, C Moessner
Angewandte Chemie - International Edition
(2008)
47
Third virial coefficient for 4-arm and 6-arm star polymers
S Caracciolo, BM Mognetti, A Pelissetto
Macromolecular Theory and Simulations
(2008)
17
Total synthesis of spirastrellolide A methyl ester - Part 2: Subunit union and completion of the synthesis
I Paterson, EA Anderson, SM Dalby, JH Lim, J Genovino, P Maltas, C Moessner
Angewandte Chemie - International Edition
(2008)
47
Localization and delocalization errors in density functional theory and implications for band-gap prediction.
P Mori-Sánchez, AJ Cohen, W Yang
Physical Review Letters
(2008)
100
COMP 217-Two transition state model for radical-molecule reactions
SJ Klippenstein, Y Georgievskii, H Sabbah, L Biennier, IR Sims, IWM Smith
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2008)
235
ORGN 260-Linear and bent halogen-bonded architectures in cocrystals: Design, properties and mechanism of formation via grinding
T Friscic, D Cincic, W Jones
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2008)
235
PHYS 168-Solvation and reactivity of the aqueous hydroxyl radical
C Adriaanse, M Sulpizi, J VandeVondele, M Sprik
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2008)
235
ORGN 635-Origin of the selectivity in directed ortho alumination of aromatic compounds mediated by TMP-aluminate
H Naka, JV Morey, F Garcia, H Kudo, D Nobuto, Y Kondo, M Uchiyama, AEH Wheatley
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2008)
235