Workshops
Tackling Complexity of the Nano/Bio Interface - Computational and Experimental Approaches
June 12, 2017 to June 16, 2017
Location : CECAM-DE-MM1P
- Exploring the nano/bio interface for nanomaterial safety and tiered risk assessments based on AOPs
André E. Nel - Environmental transformation and biological impact of emerging energy storage materials
Robert J. Hamers, Christy Haynes, Rebecca Klaper, Joel Pedersen, Franz Geiger, Erin Carlson, Qiang Cui, Sara Mason, Joseph Bennett, Galya Orr, Eric Melby - Manipulating the interface between nanoparticles and living systems
Tijana Rajh, Tamara Koritarov, Fatima Rizvi, Vani Konda, Mark Bissonnette - Seed-mediated growth of gold nanocrystals and biomolecular display on their surfaces
Catherine J. Murphy - Determination of the flat band potential for determination of nanoparticle toxicity
Lutz Mädler, Hendrik Naatz [1], Ron Hoffmann [2], Andreas Hartwig [2], Fabio La Mantia [2], Suman Pokhrel [1] - Insights into nanoparticle interaction with cell surfaces from model systems
Joel A. Pederson - Membrane dynamics with nanoparticles: roles of electrostatics, glycans, and crowding
Ilpo Vattulainen - Charged ligand-protected Au NPs in model lipid membranes - a molecular dynamics study
Gulia Rossi, F. Simonelli, S. Salassi, D. Bochicchio, R. Ferrando - All-atom DFT simulation of charged metaloxide-electrolyte interfaces
Michiel Sprik, Chao Zhang[1], Juerg Hutter [2] - Combined experimental and computational studies of (nano) particle peptide interactions
Carole C. Perry - DFT methods for solid materials and nanoparticle/liquid interface
Joseph W. Bennett, Xu Huang [1], Sara E. Mason [1] - Equilibrium adsorbate structures at electrochemical electrolyte/metal electrode interfaces
Axel Groß - Reliable computational design of biological-inorganic materials to the large nanometer scale using INTERFACE-FF
Hendrik Heinz - Small meets smaller: nanomaterial-mikrobe crosstalk - physico-chemical principles and (patho)biological consequences
Roland H. Stauber, Dana Westmeier [1] - Biomineralization, biofunctionalization, nanotoxicology: the good and the bad of materials biorecognition
Lucio Colombi Ciacchi, S. Lid [1], Massimo Delle Piane [1] - Nanoparticles interactions with viruses and lipid bilayers
Francesco Stellacci - Hydrogen bonding and proton-transfer reactions at charged bimolecular interfaces
Ana-Nicoleta Bondar - Constant pH simulations for the understanding of charge state of nanoparticles
Gerrit Groenhof - Multiscale simulations of energy and charge transport in biological systems
Ulrich Kleinekathoefer - Dynamical consistency in multiscale modelling of the nano/bio interface
Rigoberto Hernandez - Extension of CHARMM-GUI to nanomaterial sciences
Wonpil Im - Molecular simulation analysis of nanoparticle-biomolecule interactions: challenges and developments
Qiang Cui - Studying nanoparticle-membrane interactions using MD simulations
Zoe Cournia - Polymer micelles, worms, and hollow spheres under confinement and shear
Wuge H. Briscoe - Microscopic understanding of the biomolecular corona
Kenneth A. Dawson - Molecular mechanisms of nanomaterial dissolution and membrane damage
Robert H. Hurt, Agnes Kane, Andrew Peterson, Huajian Gao - Simulating the interaction of polymer plastics with lipid bilayer membranes
Luca Monticelli, D. Bochicchio [2], E. Panizon [2], G. Rossi [2] - Electron transport through (bio)molecular wires – a multi-scale approach
Tomas Kubar