Publications obtained by using VSC

Here are the scientific Publications of the various Projects on the VSC, while a collection of interesting articles for the general audience can be found in the main menu at Presscorner.
 



460 entries found
with the tags: Universität Wien x
  • Knape Kirsten, Linder Tobias, Wolschann Peter, Beyer Anton, Stary-Weinzinger Anna
    In silico Analysis of Conformational Changes Induced by Mutation of Aromatic Binding Residues: Consequences for Drug Binding in the hERG K+ Channel
    PLOS ONE 6, e28778 (2011)
  • Jungblut S., Dellago C.
    Heterogeneous crystallization on tiny clusters
    EPL 96, 56006 (2011)
  • Daeungern Rathawat, Kungwan Nawee, Wolschann Peter, Aquino Adelia J. A., Lischka Hans, Barbatti Mario
    Excited-State Intermolecular Proton Transfer Reactions of 7-Azaindole(MeOH)(n) (n=1-3) Clusters in the Gas phase: On-the-Fly Dynamics Simulation
    JOURNAL OF PHYSICAL CHEMISTRY A 115, 14129 (2011)
  • Lumpi Daniel, Stoeger Berthold, Hametner Christian, Kubel Frank, Reider Georg, Hagemann Hans, Karpfen Alfred, Froehlich Johannes
    Modified ene-yne compounds: a novel functional material with nonlinear optical properties
    CRYSTENGCOMM 13, 7194 (2011)
  • Seibold Marcus, Wolschann Peter, Olsen Ole
    Joint occurrence of the bubble protein and mycophenolic acid in Penicillium brevicompactum Dierckx
    MONATSHEFTE FUR CHEMIE 142, 1309 (2011)
  • Seibold Marcus, Wolschann Peter, Bodevin Sabrina, Olsen Ole
    Properties of the bubble protein, a defensin and an abundant component of a fungal exudate
    PEPTIDES 32, 1989 (2011)
  • Wilms Johannes, Troyer Matthias, Verstraete Frank
    Mutual information in classical spin models
    JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT None, P10011 (2011)
  • Mittendorfer Florian, Franz Thomas, Klikovits Jan, Schmid Michael, Merte Lindsay R., Zaman Sameena Shah, Varga Peter, Westerstrom Rasmus, Resta Andrea, Andersen Jesper N., Gustafson Johan, Lundgren Edvin
    Oxygen-Stabilized Rh Adatoms: 0D Oxides on a Vicinal Surface
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2, 2747 (2011)
  • Faraji S., Vazdar M., Reddy V. Sivaranjana, Eckert-Maksic M., Lischka H., Koeppel H.
    Ab initio quantum dynamical study of the multi-state nonadiabatic photodissociation of pyrrole
    JOURNAL OF CHEMICAL PHYSICS 135, 154310 (2011)
  • Lischka Hans, Mueller Thomas, Szalay Peter G., Shavitt Isaiah, Pitzer Russell M., Shepard Ron
    COLUMBUS-a program system for advanced multireference theory calculations
    WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE 1, 191 (2011)
  • Cwiklik Lukasz, Aquino Adelia J. A., Vazdar Mario, Jurkiewicz Piotr, Pittner Jiri, Hof Martin, Lischka Hans
    Absorption and Fluorescence of PRODAN in Phospholipid Bilayers: A Combined Quantum Mechanics and Classical Molecular Dynamics Study
    JOURNAL OF PHYSICAL CHEMISTRY A 115, 11428 (2011)
  • Pederzoli Marek, Pittner Jiri, Barbatti Mario, Lischka Hans
    Nonadiabatic Molecular Dynamics Study of the cis-trans Photoisomerization of Azobenzene Excited to the S-1 State
    JOURNAL OF PHYSICAL CHEMISTRY A 115, 11136 (2011)
  • Nardai Michael M., Zifferer Gerhard
    Concentration Dependence of Size, Shape, and Orientation of Copolymers, 1-Linear Diblock and 4-arm Hetero Star Polymers
    MACROMOLECULAR THEORY AND SIMULATIONS 20, 675 (2011)
  • Szymczak Jaroslaw J., Barbatti Mario, Lischka Hans
    Influence of the Active Space on CASSCF Nonadiabatic Dynamics Simulations
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 111, 3307 (2011)
  • Garg Vivek, Stary-Weinzinger Anna, Sachse Frank, Sanguinetti Michael C.
    Molecular Determinants for Activation of Human Ether-a-go-go-related Gene 1 Potassium Channels by 3-Nitro-N-(4-phenoxyphenyl) Benzamide
    MOLECULAR PHARMACOLOGY 80, 630 (2011)
  • Svardal Hannes, Rueffler Claus, Hermisson Joachim
    COMPARING ENVIRONMENTAL AND GENETIC VARIANCE AS ADAPTIVE RESPONSE TO FLUCTUATING SELECTION
    EVOLUTION 65, 2492 (2011)
  • Huissmann Sebastian, Likos Christos N., Blaak Ronald
    Effective interactions between charged dendrimers
    SOFT MATTER 7, 8419 (2011)
  • Saparpakorn Patchreenart, Wolschann Peter, Karpfen Alfred, Pungpo Pornpan, Hannongbua Supa
    Systematic investigation on the binding of GW420867X as HIV-1 reverse transcriptase inhibitor
    MONATSHEFTE FUR CHEMIE 142, 961 (2011)
  • Haegeman Jutho, Cirac J. Ignacio, Osborne Tobias J., Pizorn Iztok, Verschelde Henri, Verstraete Frank
    Time-Dependent Variational Principle for Quantum Lattices
    PHYSICAL REVIEW LETTERS 107, 070601 (2011)
  • Knape Kirsten, Linder Tobias, Stary-Weinzinger Anna
    MD simulations reveal mutation induced reorientation of binding residues in the hERG K plus channel
    EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 40, 173 (2011)
  • Suwattanasophon Chonticha, Faller Roland, Wolschann Peter, Stary-Weinzinger Anna
    Molecular dynamics simulations on the function of the transmembrane Cav1.2 channel in dependence of the content of cholesterol in the membrane
    EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 40, 118 (2011)
  • Nikoubashman Arash, Kahl Gerhard, Likos Christos N.
    Cluster Crystals under Shear
    PHYSICAL REVIEW LETTERS 107, 068302 (2011)
  • Lazar Petr, Jahnatek Michal, Hafner Juergen, Nagasako Naoyuki, Asahi Ryoji, Blaas-Schenner Claudia, Stoehr Markus, Podloucky Raimund
    Temperature-induced martensitic phase transitions in gum-metal approximants: First-principles investigations for Ti3Nb
    PHYSICAL REVIEW B 84, 054202 (2011)
  • Karpfen Alfred
    Blue-shifted A-H stretching frequencies in complexes with methanol: the decisive role of intramolecular coupling
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13, 14194 (2011)
  • Hou Hao-Cheng, Suess Dieter, Liao Jung-Wei, Lin Meng-Shian, Lin Hong-Ji, Chang Fan-Hsiu, Lai Chih-Huang
    Direct probing magnetization reversal of exchange-coupled-composite media by x-ray magnetic circular dichroism
    APPLIED PHYSICS LETTERS 98, 262507 (2011)
  • Borrero Ernesto E., Weinwurm Marcus, Dellago Christoph
    Optimizing transition interface sampling simulations
    JOURNAL OF CHEMICAL PHYSICS 134, 244118 (2011)
  • Vogler Christoph, Bruckner Florian, Fuger Markus, Bergmair Bernhard, Huber Thomas, Fidler Josef, Suess Dieter
    Three-dimensional magneto-resistive random access memory devices based on resonant spin-polarized alternating currents
    JOURNAL OF APPLIED PHYSICS 109, 123901 (2011)
  • Coluzza Ivan
    A Coarse-Grained Approach to Protein Design: Learning from Design to Understand Folding
    PLOS ONE 6, e20853 (2011)
  • Raccis Riccardo, Nikoubashman Arash, Retsch Markus, Jonas Ulrich, Koynov Kaloian, Butt Hans-Juergen, Likos Christos N., Fytas George
    Confined Diffusion in Periodic Porous Nanostructures
    ACS NANO 5, 4607 (2011)
  • Wang Ling, Pizorn Iztok, Verstraete Frank
    Monte Carlo simulation with tensor network states
    PHYSICAL REVIEW B 83, 134421 (2011)

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