Michele Cascella

Scopus Author ID ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 33

Top Venues

Journal of chemical information and modeling

Biochemistry

Journal of chemical theory and computation

Nature communications

Hylleraas Centre for Quantum Molecular Sciences

International School for Advanced Studies (SISSA/ISAS) (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Hylleraas Centre for Quantum Molecular Sciences Oct 01 2017

Norway

Principal Investigator

Universitetet i Oslo Oct 01 2016

Norway

Full Professor :: Department of Chemistry

Universitetet i Oslo Feb 01 2014 - Sep 30 2016

Norway

Associate Professor :: Department of Chemistry

Universität Bern Jun 01 2008 - Jan 31 2014

Switzerland

Assistant Professor :: Department of Chemistry and Biochemistry

École Polytechnique Fédérale de Lausanne Nov 01 2004 - May 31 2008

Switzerland

Postdoctoral fellow :: Department of Chemistry

Education History

International School for Advanced Studies (SISSA/ISAS) Nov 04 2000 - Oct 18 2004

Italy

PHD

Publications

Manuel Carrer, Henrique Musseli Cezar, Sigbjørn Løland Bore, Morten Ledum, Michele Cascella
Learning Force Field Parameters from Differentiable Particle-Field Molecular Dynamics. Journal of chemical information and modeling 64 (14) (2024)
Bong Joo Kang, Egmont J Rohwer, David Rohrbach, Elnaz Zyaee, Maryam Akbarimoosavi, Zoltan Ollmann, Gleb Sorohhov, Alex Borgoo, Michele Cascella, Andrea Cannizzo, Silvio Decurtins, Robert J Stanley, Shi-Xia Liu, Thomas Feurer
Time-resolved THz Stark spectroscopy of molecules in solution. Nature communications 15 (1) (2024)
Manuel Carrer, Henrique Musseli Cezar, Sigbjørn Løland Bore, Morten Ledum, Michele Cascella
Learning Force Field Parameters from Differentiable Particle-Field Molecular Dynamics. Journal of chemical information and modeling (2024)
Manuel Carrer, Henrique Musseli Cezar, Sigbjørn Løland Bore, Morten Ledum, Michele Cascella
Learning Force Field Parameters from Differentiable Particle-Field Molecular Dynamics. Journal of chemical information and modeling 64 (14) (2024)
Manuel Carrer, Henrique Musseli Cezar, Sigbjørn Løland Bore, Morten Ledum, Michele Cascella
Learning Force Field Parameters from Differentiable Particle-Field Molecular Dynamics. Journal of chemical information and modeling 64 (14) (2024)
Bong Joo Kang, Egmont J Rohwer, David Rohrbach, Elnaz Zyaee, Maryam Akbarimoosavi, Zoltan Ollmann, Gleb Sorohhov, Alex Borgoo, Michele Cascella, Andrea Cannizzo, Silvio Decurtins, Robert J Stanley, Shi-Xia Liu, Thomas Feurer
Time-resolved THz Stark spectroscopy of molecules in solution. Nature communications 15 (1) (2024)
Helen V Thorbjørnsrud, Luca Bressan, Tamjidmaa Khatanbaatar, Manuel Carrer, Kathrin Würth-Roderer, Gabriele Cordara, Peter Kast, Michele Cascella, Ute Krengel
What Drives Chorismate Mutase to Top Performance? Insights from a Combined In Silico and In Vitro Study. Biochemistry 62 (3) (2023)
Morten Ledum, Samiran Sen, Sigbjørn Løland Bore, Michele Cascella
On the equivalence of the hybrid particle-field and Gaussian core models. The Journal of chemical physics 158 (19) (2023)
Helen V Thorbjørnsrud, Luca Bressan, Tamjidmaa Khatanbaatar, Manuel Carrer, Kathrin Würth-Roderer, Gabriele Cordara, Peter Kast, Michele Cascella, Ute Krengel
What Drives Chorismate Mutase to Top Performance? Insights from a Combined In Silico and In Vitro Study. Biochemistry (2023)
Helen V Thorbjørnsrud, Luca Bressan, Tamjidmaa Khatanbaatar, Manuel Carrer, Kathrin Würth-Roderer, Gabriele Cordara, Peter Kast, Michele Cascella, Ute Krengel
What Drives Chorismate Mutase to Top Performance? Insights from a Combined In Silico and In Vitro Study. Biochemistry 62 (3) (2023)
Morten Ledum, Samiran Sen, Xinmeng Li, Manuel Carrer, Yu Feng, Michele Cascella, Sigbjørn Løland Bore
HylleraasMD: A Domain Decomposition-Based Hybrid Particle-Field Software for Multiscale Simulations of Soft Matter. Journal of chemical theory and computation (2023)
Helen V Thorbjørnsrud, Luca Bressan, Tamjidmaa Khatanbaatar, Manuel Carrer, Kathrin Würth-Roderer, Gabriele Cordara, Peter Kast, Michele Cascella, Ute Krengel
What Drives Chorismate Mutase to Top Performance? Insights from a Combined In Silico and In Vitro Study. Biochemistry 62 (3) (2023)
Samiran Sen, Morten Ledum, Sigbjørn Løland Bore, Michele Cascella
Soft Matter under Pressure: Pushing Particle-Field Molecular Dynamics to the Isobaric Ensemble. Journal of chemical information and modeling (2023)
Henrique Musseli Cezar, Michele Cascella
SANS Spectra with PLUMED: Implementation and Application to Metainference. Journal of chemical information and modeling (2023)
Helen V Thorbjørnsrud, Luca Bressan, Tamjidmaa Khatanbaatar, Manuel Carrer, Kathrin Würth-Roderer, Gabriele Cordara, Peter Kast, Michele Cascella, Ute Krengel
What Drives Chorismate Mutase to Top Performance? Insights from a Combined In Silico and In Vitro Study. Biochemistry 62 (3) (2023)
Morten Ledum, Samiran Sen, Xinmeng Li, Manuel Carrer, Yu Feng, Michele Cascella, Sigbjørn Løland Bore
HylleraasMD: A Domain Decomposition-Based Hybrid Particle-Field Software for Multiscale Simulations of Soft Matter. Journal of chemical theory and computation 19 (10) (2023)
Manuel Carrer, Josefine Eilsø Nielsen, Henrique Musseli Cezar, Reidar Lund, Michele Cascella, Thereza A Soares
Accelerating Lipid Flip-Flop at Low Concentrations: A General Mechanism for Membrane Binding Peptides. The journal of physical chemistry letters (2023)
Helen V Thorbjørnsrud, Luca Bressan, Tamjidmaa Khatanbaatar, Manuel Carrer, Kathrin Würth-Roderer, Gabriele Cordara, Peter Kast, Michele Cascella, Ute Krengel
What Drives Chorismate Mutase to Top Performance? Insights from a Combined In Silico and In Vitro Study. Biochemistry 62 (3) (2023)
Marinella de Giovanetti, Sondre H Hopen Eliasson, Abril C Castro, Odile Eisenstein, Michele Cascella
Morphological Plasticity of LiCl Clusters Interacting with Grignard Reagent in Tetrahydrofuran. Journal of the American Chemical Society (2023)
Abril C Castro, Michele Cascella, Robin N Perutz, Christophe Raynaud, Odile Eisenstein
Solid-State 19 F NMR Chemical Shift in Square-Planar Nickel-Fluoride Complexes Linked by Halogen Bonds. Inorganic chemistry (2023)
Michele Cascella, Thereza A Soares
Bias Amplification in Gender, Gender Identity, and Geographical Affiliation. Journal of chemical information and modeling (2022)
Till Kirsch, Jógvan Magnus Haugaard Olsen, Viacheslav Bolnykh, Simone Meloni, Emiliano Ippoliti, Ursula Röthlisberger, Michele Cascella, Jürgen Gauss
Wavefunction-Based Electrostatic-Embedding QM/MM Using CFOUR through MiMiC. Journal of chemical theory and computation 18 (1) (2021)
Raphael Mathias Peltzer, Jürgen Gauss, Odile Eisenstein, Michele Cascella
The Grignard Reaction - Unraveling a Chemical Puzzle. Journal of the American Chemical Society 142 (6) (2020)
Sebastian Franco-Ulloa, Giuseppina Tatulli, Sigbjørn Løland Bore, Mauro Moglianetti, Pier Paolo Pompa, Michele Cascella, Marco De Vivo
Dispersion state phase diagram of citrate-coated metallic nanoparticles in saline solutions. Nature communications 11 (1) (2020)
Manuel Carrer, Tatjana Škrbić, Sigbjørn Løland Bore, Giuseppe Milano, Michele Cascella, Achille Giacometti
Can Polarity-Inverted Surfactants Self-Assemble in Nonpolar Solvents? The journal of physical chemistry. B 124 (29) (2020)
Abril C Castro, David Balcells, Michal Repisky, Trygve Helgaker, Michele Cascella
First-Principles Calculation of 1H NMR Chemical Shifts of Complex Metal Polyhydrides: The Essential Inclusion of Relativity and Dynamics. Inorganic chemistry 59 (23) (2020)
Sigbjørn Løland Bore, Hima Bindu Kolli, Toshihiro Kawakatsu, Giuseppe Milano, Michele Cascella
Mesoscale Electrostatics Driving Particle Dynamics in Nonhomogeneous Dielectrics. Journal of chemical theory and computation 15 (3) (2019)
Sigbjørn Løland Bore, Giuseppe Milano, Michele Cascella
Hybrid Particle-Field Model for Conformational Dynamics of Peptide Chains. Journal of chemical theory and computation 14 (2) (2018)
Hima Bindu Kolli, Antonio De Nicola, Sigbjørn Løland Bore, Ken Schäfer, Gregor Diezemann, Jürgen Gauss, Toshihiro Kawakatsu, Zhong-Yuan Lu, You-Liang Zhu, Giuseppe Milano, Michele Cascella
Hybrid Particle-Field Molecular Dynamics Simulations of Charged Amphiphiles in an Aqueous Environment. Journal of chemical theory and computation 14 (9) (2018)
Theis Sommer, Kaare Bjerregaard-Andersen, Lalita Uribe, Michael Etzerodt, Gregor Diezemann, Jürgen Gauss, Michele Cascella, J Preben Morth
A fundamental catalytic difference between zinc and manganese dependent enzymes revealed in a bacterial isatin hydrolase. Scientific reports 8 (1) (2018)
Lalita Uribe, Gregor Diezemann, Jürgen Gauss, Jens Preben Morth, Michele Cascella
Structural Origin of Metal Specificity in Isatin Hydrolase from Labrenzia aggregata Investigated by Computer Simulations. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (20) (2018)
Raphael Mathias Peltzer, Hima Bindu Kolli, Achim Stocker, Michele Cascella
Self-Assembly of α-Tocopherol Transfer Protein Nanoparticles: A Patchy Protein Model. The journal of physical chemistry. B 122 (28) (2018)
Thereza A Soares, Stefano Vanni, Giuseppe Milano, Michele Cascella
Toward Chemically Resolved Computer Simulations of Dynamics and Remodeling of Biological Membranes. The journal of physical chemistry letters 8 (15) (2017)

Michele Cascella.css-eqlu8i{font-size:small;padding-left:4px;}

Publication Activity (10 Years)

Top Topics

Top Venues

Michele Cascella