Emiliano Ippoliti

ResearcherID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 20

Top Venues

Journal of chemical information and modeling

The journal of physical chemistry letters

Journal of chemical theory and computation

The journal of physical chemistry. B

Forschungszentrum Jülich

University of Trieste (PHD)

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

Affiliation History

Forschungszentrum Jülich

Germany

Staff member :: IAS-5/INM-9 Computational Biomedicine

Forschungszentrum Jülich

Germany

European BioExcel Center of Excellence recipient :: IAS-5/INM-9 Computational Biomedicine

Forschungszentrum Jülich

Germany

Research associate :: IAS-5/INM-9 - Computational Biomedicine

German Research School for Simulation Sciences GmbH

Germany

Research associate :: Computational Biophysics

CNR-INFM

Italy

Postdoctoral researcher :: Democritos Modeling Center for Research in Atomistic Simulations

Scuola Internazionale Superiore di Studi Avanzati

Italy

Postdoctoral researcher :: Statistical and Biological Physics

University of Trieste

Italy

Postdoc research fellow :: Department of Theoretical Physics

Abdus Salam International Centre for Theoretical Physics

Italy

Short-term visitor

Education History

University of Trieste Jan 01 2002 - Apr 14 2005

Italy

PHD :: Department of Theoretical Physics

University of Pisa Jan 10 1992 - Sep 21 2001

Italy

MSC :: Department of Physics

Publications

Bharath Raghavan, Florian Karl Schackert, Andrea Levy, Sophia K Johnson, Emiliano Ippoliti, Davide Mandelli, Jógvan Magnus Haugaard Olsen, Ursula Röthlisberger, Paolo Carloni
MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations. Journal of chemical information and modeling (2023)
Mirko Paulikat, GiovanniMaria Piccini, Emiliano Ippoliti, Sybille Krauß, Fabio Arnesano, Paolo Carloni
Physical Chemistry of Chloroquine Permeation through the Cell Membrane with Atomistic Detail. Journal of chemical information and modeling (2023)
Bharath Raghavan, Florian Karl Schackert, Andrea Levy, Sophia K Johnson, Emiliano Ippoliti, Davide Mandelli, Jógvan Magnus Haugaard Olsen, Ursula Röthlisberger, Paolo Carloni
MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations. Journal of chemical information and modeling 63 (5) (2023)
Bharath Raghavan, Florian Karl Schackert, Andrea Levy, Sophia K Johnson, Emiliano Ippoliti, Davide Mandelli, Jógvan Magnus Haugaard Olsen, Ursula Röthlisberger, Paolo Carloni
MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations. Journal of chemical information and modeling 63 (5) (2023)
Bharath Raghavan, Mirko Paulikat, Katya Ahmad, Lara Callea, Andrea Rizzi, Emiliano Ippoliti, Davide Mandelli, Laura Bonati, Marco De Vivo, Paolo Carloni
Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations. Journal of chemical information and modeling (2023)
Bharath Raghavan, Florian Karl Schackert, Andrea Levy, Sophia K Johnson, Emiliano Ippoliti, Davide Mandelli, Jógvan Magnus Haugaard Olsen, Ursula Röthlisberger, Paolo Carloni
MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations. Journal of chemical information and modeling 63 (5) (2023)
Mirko Paulikat, Juan Aranda, Emiliano Ippoliti, Modesto Orozco, Paolo Carloni
Proton Transfers to DNA in Native Electrospray Ionization Mass Spectrometry: A Quantum Mechanics/Molecular Mechanics Study. The journal of physical chemistry letters 13 (51) (2022)
Mirko Paulikat, Daniele Vitone, Florian Karl Schackert, Nils Schuth, Alessandra Barbanente, GiovanniMaria Piccini, Emiliano Ippoliti, Sybille Krauß, Adam H Clark, Maarten Nachtegaal, Michael Haumann, Holger Dau, Paolo Carloni, Silvano Geremia, Rita De Zorzi, Liliana Quintanar, Fabio Arnesano
Molecular Dynamics and Structural Studies of Zinc Chloroquine Complexes. Journal of chemical information and modeling (2022)
Mirko Paulikat, Juan Aranda, Emiliano Ippoliti, Modesto Orozco, Paolo Carloni
Proton Transfers to DNA in Native Electrospray Ionization Mass Spectrometry: A Quantum Mechanics/Molecular Mechanics Study. The journal of physical chemistry letters 13 (51) (2022)
Mirko Paulikat, Juan Aranda, Emiliano Ippoliti, Modesto Orozco, Paolo Carloni
Proton Transfers to DNA in Native Electrospray Ionization Mass Spectrometry: A Quantum Mechanics/Molecular Mechanics Study. The journal of physical chemistry letters 13 (51) (2022)
Mirko Paulikat, Juan Aranda, Emiliano Ippoliti, Modesto Orozco, Paolo Carloni
Proton Transfers to DNA in Native Electrospray Ionization Mass Spectrometry: A Quantum Mechanics/Molecular Mechanics Study. The journal of physical chemistry letters 13 (51) (2022)
Mirko Paulikat, Juan Aranda, Emiliano Ippoliti, Modesto Orozco, Paolo Carloni
Proton Transfers to DNA in Native Electrospray Ionization Mass Spectrometry: A Quantum Mechanics/Molecular Mechanics Study. The journal of physical chemistry letters (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)
Maria Gabriella Chiariello, Mercedes Alfonso-Prieto, Emiliano Ippoliti, Christoph Fahlke, Paolo Carloni
Mechanisms Underlying Proton Release in CLC-type F-/H+ Antiporters. The journal of physical chemistry letters 12 (18) (2021)
Mariarosaria Ferraro, Elisabetta Moroni, Emiliano Ippoliti, Silvia Rinaldi, Carlos Sanchez-Martin, Andrea Rasola, Luca F Pavarino, Giorgio Colombo
Machine Learning of Allosteric Effects: The Analysis of Ligand-Induced Dynamics to Predict Functional Effects in TRAP1. The journal of physical chemistry. B 125 (1) (2020)
Ida Ritacco, Andrea Saltalamacchia, Angelo Spinello, Emiliano Ippoliti, Alessandra Magistrato
All-Atom Simulations Disclose How Cytochrome Reductase Reshapes the Substrate Access/Egress Routes of Its Partner CYP450s. The journal of physical chemistry letters 11 (4) (2020)
Maria Gabriella Chiariello, Viacheslav Bolnykh, Emiliano Ippoliti, Simone Meloni, Jógvan Magnus Haugaard Olsen, Thomas Beck, Ursula Röthlisberger, Christoph Fahlke, Paolo Carloni
Molecular Basis of CLC Antiporter Inhibition by Fluoride. Journal of the American Chemical Society 142 (16) (2020)
Jógvan Magnus Haugaard Olsen, Viacheslav Bolnykh, Simone Meloni, Emiliano Ippoliti, Martin Peter Bircher, Paolo Carloni, Ursula Röthlisberger
MiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry. Journal of chemical theory and computation 15 (6) (2019)
Viacheslav Bolnykh, Jógvan Magnus Haugaard Olsen, Simone Meloni, Martin Peter Bircher, Emiliano Ippoliti, Paolo Carloni, Ursula Röthlisberger
Extreme Scalability of DFT-Based QM/MM MD Simulations Using MiMiC. Journal of chemical theory and computation 15 (10) (2019)
Ida Ritacco, Angelo Spinello, Emiliano Ippoliti, Alessandra Magistrato
Post-Translational Regulation of CYP450s Metabolism As Revealed by All-Atoms Simulations of the Aromatase Enzyme. Journal of chemical information and modeling 59 (6) (2019)

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Publication Activity (10 Years)

Top Topics

Top Venues

Emiliano Ippoliti