Emiliano Ippoliti

Affiliations

Institute for Advanced Simulation (IAS-5) and Institute of Neuroscience and Medicine (INM-9) , Forschungszentrum Jülich , 52425 Jülich , Germany.

ORCID: http://orcid.org/0000-0001-5513-8056

Publications (9)

Extreme Scalability of DFT-Based QM/MM MD Simulations Using MiMiC.

Journal of chemical theory and computation

Avec: Viacheslav Bolnykh , Jógvan Magnus Haugaard Olsen , Simone Meloni , Martin P Bircher , Emiliano Ippoliti , Paolo Carloni , Ursula Rothlisberger

Multiscale biomolecular simulations in the exascale era.

Current opinion in structural biology

Avec: David Carrasco-Busturia , Emiliano Ippoliti , Simone Meloni , Ursula Rothlisberger , Jógvan Magnus Haugaard Olsen

All-Atom Simulations Disclose How Cytochrome Reductase Reshapes the Substrate Access/Egress Routes of Its Partner CYP450s.

The journal of physical chemistry letters

Avec: Ida Ritacco , Andrea Saltalamacchia , Angelo Spinello , Emiliano Ippoliti , Alessandra Magistrato

Mechanisms Underlying Proton Release in CLC-type F

The journal of physical chemistry letters

Avec: Maria Gabriella Chiariello , Mercedes Alfonso-Prieto , Emiliano Ippoliti , Christoph Fahlke , Paolo Carloni

Current treatment goals are achieved by the majority of patients with atopic dermatitis treated with tralokinumab: results from a multicentric, multinational, retrospective, cohort study.

Expert opinion on biological therapy

Avec: A Chiricozzi , S M Ferrucci , L Di Nardo , N Gori , A Balato , M Ortoncelli , M Maurelli , M Galluzzo , M Munera Campos , T Seremet , G Caldarola , C De Simone , E Ippoliti , T Torres , S Gkalpakiotis , C Conrad , J M Carrascosa , L Bianchi , G Argenziano , S Ribero , G Girolomoni , A V Marzano , K Peris , Auteur inconnu

Molecular Dynamics and Structural Studies of Zinc Chloroquine Complexes.

Journal of chemical information and modeling

Avec: 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

MiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry.

Journal of chemical theory and computation

Avec: Jógvan Magnus Haugaard Olsen , Viacheslav Bolnykh , Simone Meloni , Emiliano Ippoliti , Martin P Bircher , Paolo Carloni , Ursula Rothlisberger

Wavefunction-Based Electrostatic-Embedding QM/MM Using CFOUR through MiMiC.

Journal of chemical theory and computation

Avec: Till Kirsch , Jógvan Magnus Haugaard Olsen , Viacheslav Bolnykh , Simone Meloni , Emiliano Ippoliti , Ursula Rothlisberger , Michele Cascella , Jürgen Gauss

MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations.

Journal of chemical information and modeling

Avec: Bharath Raghavan , Florian K Schackert , Andrea Levy , Sophia K Johnson , Emiliano Ippoliti , Davide Mandelli , Jógvan Magnus Haugaard Olsen , Ursula Rothlisberger , Paolo Carloni

Réseau de co-auteurs

Jógvan Magnus Haugaard Olsen 5 collaborations

Paolo Carloni 5 collaborations

Ursula Rothlisberger 5 collaborations

Simone Meloni 4 collaborations

Viacheslav Bolnykh 3 collaborations

Martin P Bircher 2 collaborations

Florian K Schackert 2 collaborations

David Carrasco-Busturia 1 collaboration

Ida Ritacco 1 collaboration

Andrea Saltalamacchia 1 collaboration

Angelo Spinello 1 collaboration

Alessandra Magistrato 1 collaboration

Maria Gabriella Chiariello 1 collaboration

Mercedes Alfonso-Prieto 1 collaboration

Christoph Fahlke 1 collaboration

A Chiricozzi 1 collaboration

S M Ferrucci 1 collaboration

L Di Nardo 1 collaboration

N Gori 1 collaboration

A Balato 1 collaboration

M Ortoncelli 1 collaboration

M Maurelli 1 collaboration

M Galluzzo 1 collaboration

M Munera Campos 1 collaboration

T Seremet 1 collaboration

G Caldarola 1 collaboration

C De Simone 1 collaboration

E Ippoliti 1 collaboration

T Torres 1 collaboration

S Gkalpakiotis 1 collaboration

C Conrad 1 collaboration

J M Carrascosa 1 collaboration

L Bianchi 1 collaboration

G Argenziano 1 collaboration

S Ribero 1 collaboration

G Girolomoni 1 collaboration

A V Marzano 1 collaboration

K Peris 1 collaboration

None None 1 collaboration

Mirko Paulikat 1 collaboration

Daniele Vitone 1 collaboration

Nils Schuth 1 collaboration

Alessandra Barbanente 1 collaboration

GiovanniMaria Piccini 1 collaboration

Giulia Rossetti 1 collaboration

Adam H Clark 1 collaboration

Maarten Nachtegaal 1 collaboration

Michael Haumann 1 collaboration

Holger Dau 1 collaboration

Silvano Geremia 1 collaboration

Rita De Zorzi 1 collaboration

Liliana Quintanar 1 collaboration

Fabio Arnesano 1 collaboration

Till Kirsch 1 collaboration

Michele Cascella 1 collaboration

Jürgen Gauss 1 collaboration

Bharath Raghavan 1 collaboration

Andrea Levy 1 collaboration

Sophia K Johnson 1 collaboration

Davide Mandelli 1 collaboration