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  • Currently displaying 14841 - 14860 of 30389 publications
Author(s)
Publication title
Journal Name
Publication year
Recognizing pitfalls in virtual screening: A critical review
T Scior, A Bender, G Tresadern, JL Medina-Franco, K Martínez-Mayorga, T Langer, K Cuanalo-Contreras, DK Agrafiotis
J Chem Inf Model
(2012)
52
Structure of triplex DNA in the gas phase.
A Arcella, G Portella, ML Ruiz, R Eritja, M Vilaseca, V Gabelica, M Orozco
J Am Chem Soc
(2012)
134
Ligated organocuprates: an A–Z route map of mechanism and application
S Woodward, D Willcox
(2012)
Comparative structural effects of HIV-1 Gag and nucleocapsid proteins in binding to and unwinding of the viral RNA packaging signal.
NM Bell, JC Kenyon, S Balasubramanian, AML Lever
Biochemistry
(2012)
51
Detailed analysis of the energy barriers for amyloid fibril growth
AK Buell, A Dhulesia, DA White, TPJ Knowles, CM Dobson, ME Welland
Angew Chem Int Ed Engl
(2012)
51
Conformational dynamics of capping protein and interaction partners: Simulation studies (vol 80, pg 1066, 2012)
S Lukman, RC Robinson, D Wales, CS Verma
Proteins Structure Function and Bioinformatics
(2012)
80
In Situ X‐ray Structural Studies of a Flexible Host Responding to Incremental Gas Loading
T Jacobs, GO Lloyd, J-A Gertenbach, KK Müller-Nedebock, C Esterhuysen, LJ Barbour
Angewandte Chemie International Edition
(2012)
51
Analyse der Energiebarrieren für das Wachstum von Amyloidfibrillen
AK Buell, A Dhulesia, DA White, TPJ Knowles, CM Dobson, ME Welland
Angewandte Chemie
(2012)
124
Failure of the random-phase-approximation correlation energy
P Mori-Sánchez, AJ Cohen, W Yang
Physical Review A
(2012)
85
Reply to "Comment on 'Structure and dynamics of liquid water on rutile TiO2(110)' "
L-M Liu, C Zhang, G Thornton, A Michaelides
Physical Review B Condensed Matter and Materials Physics
(2012)
85
Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant p53
R Wilcken, X Liu, MO Zimmermann, TJ Rutherford, AR Fersht, AC Joerger, FM Boeckler
J Am Chem Soc
(2012)
134
Coumarin-derived transformable fluorescent sensor for Zn2+
Z Xu, X Liu, J Pan, DR Spring
Chemical Communications
(2012)
48
Group 11 complexes containing the [C 5(CN) 5] - ligand; 'coordination-analogues' of molecular organometallic systems
RJ Less, B Guan, NM Muresan, M McPartlin, E Reisner, TC Wilson, DS Wright
Dalton Transactions
(2012)
41
Aerial powdering of bees inside mobile cages and the extent of neonicotinoid cloud surrounding corn drillers
V Girolami, M Marzaro, L Vivan, L Mazzon, C Giorio, D Marton, A Tapparo
Journal of Applied Entomology
(2012)
137
Structure sensitivity of selective acetylene hydrogenation over the catalysts with shape-controlled palladium nanoparticles
AE Yarulin, RM Crespo-Quesada, EV Egorova, LL Kiwi-Minsker
Kinetics and Catalysis
(2012)
53
Fracturing ranked surfaces
KJ Schrenk, NAM Araújo, JS Andrade, HJ Herrmann
Scientific Reports
(2012)
2
Novel selective inhibitors of neutral endopeptidase: discovery by screening and hit-to-lead optimisation
JE Bakali, L Maingot, J Dumont, H Host, A Hocine, N Cousaert, S Dassonneville, F Leroux, B Deprez, R Deprez-Poulain
Medchemcomm
(2012)
3
Special Issue: Solid-State NMR in Materials for Energy Storage and Conversion
CP Grey, GR Goward
Solid state nuclear magnetic resonance
(2012)
13
Structure-based identification of new high-affinity nucleosome binding sequences
F Battistini, CA Hunter, IK Moore, J Widom
J Mol Biol
(2012)
420
Proteome folding and aggregation
M Vendruscolo
Current Opinion in Structural Biology
(2012)
22