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Currently displaying 19981 - 20000 of 29898 publications

Transition State Contact Orders Correlate with Protein Folding Rates

E Paci, K Lindorff-Larsen, CM Dobson, M Karplus, M Vendruscolo

Journal of molecular biology

(2005)

352

495

(doi: 10.1016/j.jmb.2005.06.081)

A third blind test of crystal structure prediction.

GM Day, WDS Motherwell, HL Ammon, SXM Boerrigter, RG Della Valle, E Venuti, A Dzyabchenko, JD Dunitz, B Schweizer, BP van Eijck, P Erk, JC Facelli, VE Bazterra, MB Ferraro, DWM Hofmann, FJJ Leusen, C Liang, CC Pantelides, PG Karamertzanis, SL Price, TC Lewis, H Nowell, A Torrisi, HA Scheraga, YA Arnautova, MU Schmidt, P Verwer

Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

(2005)

511

(doi: 10.1107/s0108768105016563)

Sum frequency generation from Langmuir-Blodgett multilayer films on metal and dielectric substrates.

J Holman, PB Davies, T Nishida, S Ye, DJ Neivandt

The Journal of Physical Chemistry B

(2005)

109

18723

(doi: 10.1021/jp051564y)

First principles study of d -> d excitations in bulk NiO

DS Middlemiss, WCM *

Molecular Physics

(2005)

103

2513

(doi: 10.1080/00268970500179537)

Large-N_f behavior of the Yukawa model: analytic results

S Caracciolo, BM Mognetti, A Pelissetto

PoS LAT

(2005)

2005

187

Lattice sums and their derivatives for surface adlayers

AJS *

Molecular Physics

(2005)

103

2477

(doi: 10.1080/00268970500178885)

Amyloid Formation of a Protein in the Absence of Initial Unfolding and Destabilization of the Native State

G Soldi, F Bemporad, S Torrassa, A Relini, M Ramazzotti, N Taddei, F Chiti

Biophysical journal

(2005)

4234

(doi: 10.1529/biophysj.105.067538)

Amyloid fibril formation can proceed from different conformations of a partially unfolded protein.

M Calamai, F Chiti, CM Dobson

Biophysical Journal

(2005)

4201

(doi: 10.1529/biophysj.105.068726)

Screening for dihydrofolate reductase inhibitors using MOLPRINT 2D, a fast fragment-based method employing the naïve Bayesian classifier: limitations of the descriptor and the importance of balanced chemistry in training and test sets.

A Bender, HY Mussa, RC Glen

Journal of Biomolecular Screening

(2005)

658

(doi: 10.1177/1087057105281048)

The folded, tetrameric phosph( iii )azane macrocycle [{P( μ -N t Bu)} 2 {1,4-(NH) 2 C 6 H 4 }] 4

F Dodds, F García, RA Kowenicki, M McPartlin, L Riera, A Steiner, DS Wright

Chemical Communications

(2005)

5041

(doi: 10.1039/b510636b)