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  • Currently displaying 14321 - 14340 of 30236 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
The Journal of chemical physics
(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
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
Probability based hERG blocker classifiers
Z Wang, HY Mussa, R Lowe, RC Glen, A Yan
Molecular Informatics
(2012)
31
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
Biomedizinische Technik. Biomedical engineering
(2012)
57
A general theory of DNA-mediated and other valence-limited colloidal interactions.
P Varilly, S Angioletti-Uberti, BM Mognetti, D Frenkel
The Journal of Chemical Physics
(2012)
137
Efficient long-range stereochemical communication and cooperative effects in self-assembled Fe 4L 6 cages
N Ousaka, S Grunder, AM Castilla, AC Whalley, JF Stoddart, JR Nitschke
Journal of the American Chemical Society
(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
Biophysical journal
(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
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)
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
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
Nature Structural Molecular Biology
(2012)
19
The effect of HNE modification on the structure and function of the neuronal protein UCH-L: Links to neurodegenerative disease
SE Jackson␎, EF Werrell, ST Hsu, B Murphy, W Crone, SK Wetzel et al
Free Radical Biology and Medicine
(2012)
53
Improved ionic conductivity in NdGdZr2O7: Influence of Sc3+ substitution
FN Sayed, BP Mandal, D Jain, CGNS Pillai, AK Tyagi
Journal of the European Ceramic Society
(2012)
32