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  • Currently displaying 13681 - 13700 of 29882 publications
Author(s)
Publication title
Journal Name
Publication year
Ratcheted molecular-dynamics simulations identify efficiently the transition state of protein folding.
G Tiana, C Camilloni
The Journal of Chemical Physics
(2012)
137
Vibrational Sum Frequency Generation Spectroscopy of the Water Liquid-Vapor Interface from Density Functional Theory-Based Molecular Dynamics Simulations
M Sulpizi, M Salanne, M Sprik, M-P Gaigeot
J Phys Chem Lett
(2012)
4
The Simulation Approach to Lipid–Protein Interactions
T Paramo, D Garzón, DA Holdbrook, S Khalid, PJ Bond
Methods in molecular biology (Clifton, N.J.)
(2012)
974
The Relationship between Aggregation and Toxicity of Polyglutamine-Containing Ataxin-3 in the Intracellular Environment of Escherichia coli
G Invernizzi, FA Aprile, A Natalello, A Ghisleni, A Penco, A Relini, SM Doglia, P Tortora, ME Regonesi
PloS one
(2012)
7
Water Evaporation: A Transition Path Sampling Study
P Varilly, D Chandler
The Journal of Physical Chemistry B
(2012)
117
Ubiquitin chain conformation regulates recognition and activity of interacting proteins
Y Ye
Nature
(2012)
492
Climatic impact of the long-lasting 1783 Laki eruption: Inapplicability of mass-independent sulfur isotopic composition measurements
A Schmidt, T Thordarson, LD Oman, A Robock, S Self
Journal of Geophysical Research: Atmospheres
(2012)
117
Transformations within a network of cadmium architectures
W Meng, TK Ronson, JK Clegg, JR Nitschke
Angewandte Chemie (International ed. in English)
(2012)
52
Gold Nanoparticles Produced In Situ Mediate Bioelectricity and Hydrogen Production in a Microbial Fuel Cell by Quantized Capacitance Charging
S Kalathil, J Lee, MH Cho
ChemSusChem
(2012)
6
An acetylene-bridged 6,8-purine dimer as a fluorescent switch-on probe for parallel G-quadruplexes
M Nikan, M Di Antonio, K Abecassis, K McLuckie, S Balasubramanian
Angew Chem Int Ed Engl
(2012)
52
Transformations within a Network of Cadmium Architectures
W Meng, TK Ronson, JK Clegg, JR Nitschke
Angewandte Chemie
(2012)
125
Covalent α-synuclein dimers: chemico-physical and aggregation properties.
M Pivato, G De Franceschi, L Tosatto, E Frare, D Kumar, D Aioanei, M Brucale, I Tessari, M Bisaglia, B Samori, PP de Laureto, L Bubacco
Plos One
(2012)
7
Layering, freezing and re-entrant melting of hard spheres in soft confinement
T Curk, A de Hoogh, FJ Martinez-Veracoechea, E Eiser, D Frenkel, J Dobnikar, ME Leunissen
(2012)
Role of Structure and Interfaces in the Performance of TiSnSb as an Electrode for Li-Ion Batteries
C Marino, MT Sougrati, B Gerke, R Pöttgen, H Huo, M Ménétrier, CP Grey, L Monconduit
Chemistry of Materials
(2012)
24
The phase of iron catalyst nanoparticles during carbon nanotube growth
CT Wirth, BC Bayer, AD Gamalski, S Esconjauregui, RS Weatherup, C Ducati, C Baehtz, J Robertson, S Hofmann
Chemistry of Materials
(2012)
24
Relationship Between Molecular Contact Thermodynamics and Surface Contact Mechanics
N Nikogeorgos, CA Hunter, GJ Leggett
Langmuir
(2012)
28
Highlights from the 47th EUCHEM conference on stereochemistry, Bürgenstock, Switzerland, May 2012
TD Sheppard, TN Snaddon
Chemical Communications
(2012)
48
The surface plasmon modes of self-assembled gold nanocrystals
SJ Barrow, X Wei, JS Baldauf, AM Funston, P Mulvaney
Nature communications
(2012)
3
Synthesis of differentially substituted 1,2-diamines through advances in C-H amination technology.
DE Olson, DA Roberts, J Du Bois
Org Lett
(2012)
14
Anti-cancer drug development: Computational strategies to identify and target proteins involved in cancer metabolism
L Mak, S Liggi, L Tan, K Kusonmano, JM Rollinger, A Koutsoukas, RC Glen, J Kirchmair
Current Pharmaceutical Design
(2012)
19