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  • Currently displaying 14741 - 14760 of 30684 publications
Author(s)
Publication title
Journal Name
Publication year
Release of high-energy water as an essential driving force for the high-affinity binding of cucurbit[n]urils.
F Biedermann, VD Uzunova, OA Scherman, WM Nau, A De Simone
J Am Chem Soc
(2012)
134
Mean-field theory of the phase diagram of ultrasoft, oppositely charged polyions in solution.
A Nikoubashman, J-P Hansen, G Kahl
J Chem Phys
(2012)
137
Full configuration interaction excitations of ethene and butadiene: Resolution of an ancient question
C Daday, S Smart, GH Booth, A Alavi, C Filippi
Journal of Chemical Theory and Computation
(2012)
8
Probability Based hERG Blocker Classifiers.
Z Wang, HY Mussa, R Lowe, RC Glen, A Yan
Molecular informatics
(2012)
31
Using Ligand‐Mapping Simulations to Design a Ligand Selectively Targeting a Cryptic Surface Pocket of Polo‐Like Kinase 1
YS Tan, P Śledź, S Lang, CJ Stubbs, DR Spring, C Abell, RB Best
Angewandte Chemie International Edition
(2012)
51
Alternative Splicing of a Protein Domain Indispensable for Function of Transient Receptor Potential Melastatin 3 (TRPM3) Ion Channels*
J Frühwald, J Camacho Londoño, S Dembla, S Mannebach, A Lis, A Drews, U Wissenbach, J Oberwinkler, SE Philipp
J Biol Chem
(2012)
287
Development of a Phantom to Modulate the Maternal and Fetal Pulse Curve for Pulse Oximetry Measurements
S Weyrich, S Sprenger, M Böttrich, P Schmidt, D Laqua, S Ley, P Husar
Biomedical Engineering / Biomedizinische Technik
(2012)
57 Suppl 1
Examining basilar membrane motion of an auditory model by using tone-burst otoacoustic emissions.
S Ley, A Chilian, T Harczos, A Katai, F Klefenz, P Husar
Biomedical Engineering / Biomedizinische Technik
(2012)
57
A general theory of DNA-mediated and other valence-limited colloidal interactions
P Varilly, S Angioletti-Uberti, BM Mognetti, D Frenkel
J Chem Phys
(2012)
137
Efficient Long-Range Stereochemical Communication and Cooperative Effects in Self-Assembled Fe4L6 Cages
N Ousaka, S Grunder, AM Castilla, AC Whalley, JF Stoddart, JR Nitschke
J Am Chem Soc
(2012)
134
Predicting genes involved in human cancer using network contextual information.
H Rahmani, H Blockeel, A Bender
Journal of integrative bioinformatics
(2012)
9
Inclusion of Many-Body Effects in the Additive CHARMM Protein CMAP Potential Results in Enhanced Cooperativity of α-Helix and β-Hairpin Formation
RB Best, J Mittal, M Feig, AD MacKerell
Biophys J
(2012)
103
Synthesis of enantiomerically enriched 3-amino-2-oxindoles through a palladium-mediated asymmetric intramolecular arylation of α-ketimino amides
P Tolstoy, SXY Lee, C Sparr, SV Ley
Organic letters
(2012)
14
Characterization of zn-containing metal-organic frameworks by solid-state 67Zn NMR spectroscopy and computational modeling
A Sutrisno, VV Terskikh, Q Shi, Z Song, J Dong, SY Ding, W Wang, BR Provost, TD Daff, TK Woo, Y Huang
Chemistry - A European Journal
(2012)
18
Effect of multiple group orientations on sum frequency generation spectra
PJN Kett, MTL Casford, PB Davies
Molecular Physics
(2012)
111
NMR chemical shifts and protein dynamics
C Camilloni, M Vendruscolo
FEBS JOURNAL
(2012)
279
Low-cost approach for broadband enhancement of ultraviolet to visible light downconversion in fluorescent media
R Mupparapu, K Vynck, I Malfanti, S Vignolini, M Burresi, P Scudo, R Fusco, DS Wiersma
2012 IEEE Photonics Conference IPC 2012
(2012)
1
Structural disorder and induced folding within proteins of the replicative complex of paramyxoviruses
S Longhi, J Habchi, D Blocquel, S Blangy, M Blackledge, M Ringkjobing-Jensen
FEBS JOURNAL
(2012)
279
Chaperones suppress the toxicity of aberrant protein aggregates. Molecular insight into the mechanism of action
B Mannini, S Campioni, M Boninsegna, A Penco, R Cascella, M Zampagni, M Wilson, S Meehan, C Roodveldt, C Dobson, A Relini, C Cecchi, F Chiti
FEBS JOURNAL
(2012)
279
In support of the BMRB.
JL Markley, H Akutsu, T Asakura, M Baldus, R Boelens, A Bonvin, R Kaptein, A Bax, I Bezsonova, MR Gryk, JC Hoch, DM Korzhnev, MW Maciejewski, D Case, WJ Chazin, TA Cross, S Dames, H Kessler, O Lange, T Madl, B Reif, M Sattler, D Eliezer, A Fersht, J Forman-Kay, LE Kay, J Fraser, J Gross, T Kortemme, A Sali, T Fujiwara, K Gardner, X Luo, J Rizo-Rey, M Rosen, RR Gil, C Ho, G Rule, AM Gronenborn, R Ishima, J Klein-Seetharaman, P Tang, P van der Wel, Y Xu, S Grzesiek, S Hiller, J Seelig, ED Laue, H Mott, D Nietlispach, I Barsukov, L-Y Lian, D Middleton, T Blumenschein, G Moore, I Campbell, J Schnell, IJ Vakonakis, A Watts, MR Conte, J Mason, M Pfuhl, MR Sanderson, J Craven, M Williamson, C Dominguez, G Roberts, U Günther, M Overduin, J Werner, P Williamson, C Blindauer, M Crump, P Driscoll, T Frenkiel, A Golovanov, S Matthews, J Parkinson, D Uhrin, M Williams, D Neuhaus, H Oschkinat, A Ramos, DE Shaw, C Steinbeck, M Vendruscolo, GW Vuister, KJ Walters, H Weinstein, K Wüthrich, S Yokoyama
Nat Struct Mol Biol
(2012)
19