Publications de Michele Cascella

FCC Physics Opportunities: Future Circular Collider Conceptual Design Report Volume 1

Pierluigi Bruzzone, Jan Steggemann, Elena Graverini, Jean-Michel Sallese, Thomas Rizzo, Luca Rossi, Rui Ning Wang, Fabio Avino, Xavier Buffat, Tatiana Pieloni

We review the physics opportunities of the Future Circular Collider, covering its e(+)e(-), pp, ep and heavy ion programmes. We describe the measurement capabilities of each FCC component, addressing the study of electroweak, Higgs and strong interactions, ...

2019

Anthanthrene dye-sensitized solar cells: influence of the number of anchoring groups and substitution motif

Michael Graetzel, Chenyi Yi, Michele Cascella, Martin Peter Bircher

Four new dye molecules comprising an anthanthrene core, thiophene-cyanoacrylic acid electron acceptor and triphenylamine (TPA) electron donor units were prepared. Thereby, the substitution pattern at the anthanthrene core has been varied systematically. Th ...

RSC Publishing2015

Structural insights on cholesterol endosynthesis: Binding of squalene and 2,3-oxidosqualene to supernatant protein factor

Michele Cascella, Maria Josefina Marcaida Lopez, Christos Lamprakis

We present the crystal structures of the SEC14-like domain of supernatant protein factor (SPF) in complex with squalene and 2,3-oxidosqualene. The structures were resolved at 1.75 angstrom (complex with squalene) and 1.6 angstrom resolution (complex with 2 ...

Elsevier2015

A quinoxaline-fused tetrathiafulvalene-based sensitizer for efficient dye-sensitized solar cells

Michael Graetzel, Chenyi Yi, Michele Cascella, Martin Peter Bircher, Jiabao Yang

A new quinoxaline-fused tetrathiafulvalene-based sensitizer has been prepared and characterized. The resulting power conversion efficiency of 6.47% represents the best performance to date for tetrathiafulvalene-sensitized solar cells. ...

Royal Society of Chemistry2014

Subtle differences in virus composition affect disinfection kinetics and mechanisms

Tamar Kohn, Brian Pecson, Krista Rule Wigginton, Anne Thérèse Sigstam, Michele Cascella

Viral disinfection kinetics have been studied in depth, but the molecular-level inactivation mechanisms are not understood. Consequently, it is difficult to predict the disinfection behavior of non-culturable viruses, even when related, culturable viruses ...

American Society for Microbiology2013

Electrostatic-Consistent Coarse-Grained Potentials for Molecular Simulations of Proteins

Matteo Dal Peraro, Michele Cascella, Matteo Thomas Degiacomi, Davide Alemani, Enrico Spiga

We present a new generation of coarse-grained (CG) potentials that account for a simplified electrostatic description of soluble proteins. The treatment of permanent electrostatic dipoles of the backbone and polar side-chains allows to simulate proteins, p ...

Amer Chemical Soc2013

UV radiation induces genome-mediated, site-specific cleavage in viral protein

Tamar Kohn, Yury Tsybin, Laure Menin, Hisham Ben Hamidane, Krista Rule Wigginton, Anne Thérèse Sigstam, Michele Cascella

Much research has been dedicated to understanding the molecular basis of UV damage to biomolecules, yet many questions remain regarding the specific pathways involved. Here we describe a genome-mediated mechanism that causes sitespecific virus protein clea ...

2012

Characterization of Molecular Determinants of the Conformational Stability of Macrophage Migration Inhibitory Factor: Leucine 46 Hydrophobic Pocket

Ursula Röthlisberger, Hilal Lashuel, Florence Pojer, Bruno Claude Daniel Fauvet, Michele Cascella, Marilisa Neri, Magdalena Zweckstetter, Hajer Ouertatani-Sakouhi, Farah El Turk, Min Kyu Cho

Macrophage Migration Inhibitory Factor (MIF) is a key mediator of inflammatory responses and innate immunity and has been implicated in the pathogenesis of several inflammatory and autoimmune diseases. The oligomerization of MIF, more specifically trimer f ...

Public Library of Science2012

Low inhibiting power of N...CO based peptidomimetic compounds against HIV protease: Insights from a hybrid QM/MM study

Ursula Röthlisberger, Michele Cascella

Recently, Hasserodt et al. proposed new HIV-1 drug candidates based on a weak N center dot center dot center dot CO interaction, designed to be a close transition state analog (Gautier et al. Bioorg. Med. Chem. 2006, 14, 3835-3847; Waibel et al. J. Bioorg. ...

2010

A nonradial coarse-grained potential for proteins produces naturally stable secondary structure elements

Matteo Dal Peraro, Michele Cascella, Davide Alemani, Francesca Collu

We introduce a nonradial potential term for coarse-grained (CG) molecular simulations of proteins. This term mimics the backbone dipole−dipole interactions and accounts for the needed directionality to form stable folded secondary structure elements. We sh ...

2010