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Currently displaying 17561 - 17580 of 29283 publications

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)

3385

(doi: 10.1002/anie.200703915)

Engineering polymer informatics: Towards the computer-aided design of polymers

N Adams, P Murray‐Rust

Macromolecular Rapid Communications

(2008)

615

(doi: 10.1002/marc.200700832)

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)

691

(doi: 10.1021/ci700334f)

CrystalEye - From Desktop to Data Repository

OJ Downing, P Murray-Rust, NE Day

http://pubs.or08.ecs.soton.ac.uk/

(2008)

Binding-Induced Folding of a Natively Unstructured Transcription Factor

AG Turjanski, JS Gutkind, RB Best, G Hummer

PLoS computational biology

(2008)

e1000060

(doi: 10.1371/journal.pcbi.1000060)

Mixing in Adsorbed Monolayers: Perfluorinated Alkanes

JE Parker, SM Clarke

Langmuir

(2008)

4833

(doi: 10.1021/la703995u)

Automated derivation of structural class symbols and extended Z′ descriptors for molecular crystal structures in the Cambridge Structural Database

AD Bond

CrystEngComm

(2008)

411

(doi: 10.1039/b800642c)

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

Analytical chemistry

(2008)

3890

(doi: 10.1021/ac800338z)

Proton transfer in a polar solvent from ring polymer reaction rate theory

R Collepardo-Guevara, IR Craig, DE Manolopoulos

Journal of Chemical Physics

(2008)

128

144502

(doi: 10.1063/1.2883593)

Coarse-grained MD simulations of membrane protein-bilayer self-assembly.

KA Scott, PJ Bond, A Ivetac, AP Chetwynd, S Khalid, MSP Sansom

Structure

(2008)

621

(doi: 10.1016/j.str.2008.01.014)

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

Angew Chem Int Ed Engl

(2008)

3275

(doi: 10.1002/anie.200704594)

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)

3021

(doi: 10.1002/anie.200705566)

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)

3016

(doi: 10.1002/anie.200705565)

Third virial coefficient for 4-arm and 6-arm star polymers

S Caracciolo, BM Mognetti, A Pelissetto

Macromolecular Theory and Simulations

(2008)

(doi: 10.1002/mats.200800001)

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

146401

(doi: 10.1103/PhysRevLett.100.146401)