Emiliano Ippoliti

Publication Activity (10 Years)

Years Active: 2014-2023
Publications (10 Years): 5

Top Topics

Molecular Dynamics

Massively Parallel

Protein Complexes

Top Venues

J. Chem. Inf. Model.

PLoS Comput. Biol.

Publications

Mirko Paulikat, GiovanniMaria Piccini, Emiliano Ippoliti, Giulia Rossetti, Fabio Arnesano, Paolo Carloni
Physical Chemistry of Chloroquine Permeation through the Cell Membrane with Atomistic Detail. J. Chem. Inf. Model. 63 (22) (2023)
Mirko Paulikat, Daniele Vitone, Florian K. Schackert, Nils Schuth, Alessandra Barbanente, GiovanniMaria Piccini, Emiliano Ippoliti, Giulia Rossetti, 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. J. Chem. Inf. Model. 63 (1) (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. J. Chem. Inf. Model. 63 (12) (2023)
Bharath Raghavan, Florian K. Schackert, Andrea Levy, Sophia K. Johnson, Emiliano Ippoliti, Davide Mandelli, Jógvan Magnus Haugaard Olsen, Ursula Rothlisberger, Paolo Carloni
MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations. J. Chem. Inf. Model. 63 (5) (2023)
Ida Ritacco, Angelo Spinello, Emiliano Ippoliti, Alessandra Magistrato
Post-Translational Regulation of CYP450s Metabolism As Revealed by All-Atoms Simulations of the Aromatase Enzyme. J. Chem. Inf. Model. 59 (6) (2019)
Jinyu Li, Giulia Rossetti, Jens Dreyer, Simone Raugei, Emiliano Ippoliti, Bernhard Lüscher, Paolo Carloni
Molecular Simulation-Based Structural Prediction of Protein Complexes in Mass Spectrometry: The Human Insulin Dimer. PLoS Comput. Biol. 10 (9) (2014)