Michele Cascella

Professor - Theoretical chemistry
Image of Michele Cascella
Norwegian version of this page
Room V 224
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Visiting address Sem Sælands vei 26 0371 Oslo
Postal address Postboks 1033 0315 Oslo

Academic interests

  • Computational structural biology
  • Ab initio, hybrid QM/MM, classical molecular dynamics
  • Coarse grained and multiscale modelling
  • Development of the hybrid particle-field model

Background

  • Since 2017 PI of the Hylleraas Centre for Quantum Molecular Sciences 
  • Since 2016 Full Professor in Theoretical Chemistry at University of Oslo, Norway
  • 2014-2016 Associate Professor in Theoretical Chemistry at University of Oslo, Norway
  • 2008-2013 Assistant Professor in Computational Chemistry at University of Bern, Switzerland (Swiss National Science Foundation Professorship)
  • 2004-2008 Postdoctoral fellow at Ecole Polytechnique Fédérale de Lausanne (EPFL), Switzerland
  • 2000-2004 Ph.D. in Statistical and Biological Physics at International School for Advanced Studies (SISSA/ISAS) Trieste, Italy
  • 1994-2000 Degree in Chemistry, University or Rome "La Sapienza", Italy

Projects

  • Development of the hybrid particle-field method and software 
  • Computer simulations of (bio) soft matter systems
  • Ab initio molecular dynamics simulations of Grignard compounds 

Publications

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  • Eisenstein, Odile; Cascella, Michele & Pradier, Claire-Marie (2021). La reaction de Grignard, une enigme de 120 ans chapter in Etonnante Chimie Decouvertes et promesses du XXIeme siècle. CNRS Editions. ISBN 978-2-271-13652-7. 340 p.

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  • Eisenstein, Odile & Cascella, Michele (2021). Grignard reagent and Grignard reaction: Computational approach of a chemical puzzle.
  • Lund, Reidar & Cascella, Michele (2021). Aggregation kinetics and photodynamics of photocontrollable surfactant AzoTMA: a molecular dynamics study.
  • Cascella, Michele (2020). Recent advances in hybrid particle field: toward biological systems.
  • Cascella, Michele (2019). Simulating biological systems coupling particles and fields with molecular dynamics.
  • Cascella, Michele (2019). Simulating biological systems coupling particles and fields with molecular dynamics.
  • Cascella, Michele (2019). Simulating biological systems coupling particles and fields with molecular dynamics .
  • Cascella, Michele (2019). Simulating biological soft systems coupling particles and fields with molecular dynamics.
  • Cascella, Michele (2019). Multiscale simulations of bio/soft-matter using particles and fields.
  • Cascella, Michele (2019). Simulating Biological Systems Coupling Particles and Fields with Molecular Dynamics.
  • Cascella, Michele (2018). Toward Molecular-Resolved Mesoscale Simulations of Soft Matter.
  • Cascella, Michele (2018). Hybrid particle-field molecular dynamics: state of the art and challenges.
  • Cascella, Michele (2018). Hybrid particle field models for peptide chains .
  • Cascella, Michele (2018). Entropy-driven polymorphism in micellar aggregates of a charged surfactant — a multi-scale study.
  • Cascella, Michele (2018). Coarse grained models of protein and peptides using particles and fields .
  • Cascella, Michele (2018). Coarse-graining peptides -- from particles to fields.
  • Cascella, Michele (2018). Coarse-graining peptides -- From particles to fields.
  • Cascella, Michele (2017). Coarse-graining peptides -- From particles to fields.
  • Cascella, Michele (2015). Beyond Millisecond Dynamics of Large Macromolecular Systems Using Coarse-Grained and Hybrid Particle/Field Approaches.
  • Cascella, Michele (2015). A Native Human Protein Nanoconstruct with Acquired Transcytocic Properties through Endothelial Barriers.
  • Cascella, Michele (2015). A Native Human Protein Nanoconstruct with Acquired Transcytocic Properties through Endothelial Barriers.
  • Cascella, Michele (2015). A Native Human Protein Nanoconstruct with Acquired Transcytocic Properties through Endothelial Barriers.
  • Cascella, Michele (2015). Discovery of a Novel Enzymatic Function in Cellular Retinal Binding Protein.
  • Cascella, Michele (2014). Modulation of protein function by micro-solvation effects: the puzzling case of cis-retinal binding in CRALBP.
  • Cascella, Michele (2014). Lipid recognition and exchange mechanisms in transporters of the Sec-14 like family.
  • Cascella, Michele (2014). Lipophilic transporters of the Sec 14-like family: structure, dynamics, and function explored by computer simulations.
  • Cascella, Michele (2014). Multi-scale simulation of proteins: from the Schroedinger equation to coarse grained modelling.
  • Cascella, Michele (2014). Multi-scale simulations of proteins: from the Schroedinger equation to coarse-grained modelling.
  • Bore, Sigbjørn Løland; Cascella, Michele & Kvaal, Simen (2020). Advances in the Hybrid Particle-Field Approach: Towards Biological Systems. Matematisk Naturvitenskapelig fakultet, Universitetet i Oslo. ISSN 1501-7710. 2020(2245).
  • Sekulic, Nikolina; Cascella, Michele & Hovet, Oda (2020). Molecular Dynamics Studies on the Essential Mitotic Protein Kinase – Aurora B. Reprosentralen, University of Oslo.
  • Peltzer, Raphael Mathias; Cascella, Michele; Pedersen, Thomas Bondo & Helgaker, Trygve (2018). Multi-scale computational modelling of bio-chemical systems in the condensed phase. Universitetet i Oslo. ISSN 1501-7710. 2018(2058).
  • Thorbjørnsrud, Helen Vikdal; Krengel, Ute & Cascella, Michele (2018). Escaping Mediocrity - Activity and Regulation of a Catalytically Inefficient Enzyme. Universistetet i Oslo. ISSN 1501-7710.

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Published Feb. 4, 2014 2:03 PM - Last modified Aug. 18, 2020 5:03 PM