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Marco De Vivo

Istituto Italiano di Tecnologia

Italy

Research Interests

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Professors in Italy Professors in Biochemistry Biochemistry professors in Italy

Articles (20)

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2026

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2024

Collaborators (30)

Paolo Carloni

Co-director

RWTH Aachen University

GERMANY

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Jan H. Jensen

Professor of Computational Chemistry

University of Copenhagen

DENMARK

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Gregory R. Bowman

Washington University School of Medicine

UNITED STATES

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M Bonomi

Charge ́ de recherche de classe normal

Université Paris Cité

FRANCE

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F. Javier Luque

University of Barcelona

SPAIN

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Fabrizio Mancin

Full Professor

University of Padova

ITALY

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Michele Parrinello

Prof. in Computational Sciences

Italian Institute of Technology

ITALY

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alberto Perez

Associate Professor

University of Florida

UNITED STATES

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Junfeng Ma

Georgetown University Medical Center

UNITED STATES

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Laura Riccadi

Istituto Italiano di Tecnologia

ITALY

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Marc van der Kamp

Professor

University of Bristol

UNITED KINGDOM

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Peng Tao

Professor

Southern Methodist University

UNITED STATES

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Erhu Cao

Assistant Professor

University of Utah School of Medicine

UNITED STATES

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Jesse Rinehart

Associate Professor

Yale University

UNITED STATES

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Jean-Philip Piquemal

Professor

Sorbonne Université

FRANCE

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federica battistini

Lecturer/Lector Serra Hunter

University of Barcelona

SPAIN

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Nathalie Reuter

Director

University of Bergen

NORWAY

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John Kitchin

Professor

Carnegie Mellon University

UNITED STATES

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Zoe Cournia

Director of Research (Professor level)

Biomedical Research Foundation of the Academy of Athens

GREECE

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Maria Antonietta La Serra

Italian Institute of Technology

ITALY

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Bingqing Cheng

Assistant Professor

University of California, Berkeley

UNITED STATES

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Carol A. Parish

University of Richmond

UNITED STATES

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FEDERICO RASTRELLI

Associate Professor

University of Padova

ITALY

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Shina Caroline Lynn Kamerlin

Professor and Georgia Research Alliance Eminent Scholar

Georgia Institute of Technology

UNITED STATES

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Megan O'Mara

Professor

University of Queensland

AUSTRALIA

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Sameer Velankar

European Bioinformatics Institute

UNITED KINGDOM

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ivet bahar

Louis & Beatrice Laufer Endowed Chair and Director

Stony Brook University

UNITED STATES

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Iñaki Tuñón

Professor

University of Valencia

SPAIN

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Travis Wheeler

Professor

University of Arizona

UNITED STATES

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Bernard Choi

Professor

University of California, Irvine

UNITED STATES

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Marco De Vivo

Research Interests

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Articles (20)

Advancing Reproducibility and Open Data in Theoretical and Computational Chemistry

Decoding Cancer-Associated Mutations in DNA Polymerase η through Atomistic Simulations

Torsionator: Dihedral Parameterization and Conformer Search Made Easy

Atomistic Simulations Decode the Mechanisms of DNA and RNA Processing Enzymes: Function through Motion

Recent advances in CDC42 subfamily inhibition and therapeutic potential

Controlled dynamic remodeling of the spliceosome active site enables the first step of splicing

Tetrahydropyrido[4,3-d]pyrimidines as a new active scaffold for human topoisomerase II inhibitors

The need to implement FAIR principles in biomolecular simulations.

Rational design of gold nanoparticle-based chemosensors for detection of the tumor marker 3-methoxytyramine

Coordinated Residue Motions at the Enzyme–Substrate Interface Promote DNA Translocation in Polymerases

Structural basis for human NKCC1 inhibition by loop diuretic drugs

Machine Learning and Statistical Mechanics: Shared Synergies for Next Generation of Chemical Theory and Computation

A Scoring Function for Monolayer-Protected Gold Nanoparticles Capable of Recognizing Small Organic Molecules in Solution

Metal coordination and enzymatic reaction of the glioma-target R132H isocitrate dehydrogenase 1: Insights by molecular simulations

Aliphatic Polyester Recognition and Reactivity at the Active Cleft of a Fungal Cutinase

CDC42-effector interaction inhibitors alter patterns of vessel arborization in skin and tumors<i> in</i><i> vivo</i>

The Next Twenty Years of the Journal of Chemical Theory and Computation

On the Power and Challenges of Atomistic Molecular Dynamics to Investigate RNA Molecules

Correct Nucleotide Selection Is Confined at the Binding Site of Polymerase Enzymes

<i>JCTC</i> Inaugural 2024 Early Career Advisory Board

Collaborators (30)

Paolo Carloni

Jan H. Jensen

Gregory R. Bowman

M Bonomi

F. Javier Luque

Fabrizio Mancin

Michele Parrinello

alberto Perez

Junfeng Ma

Laura Riccadi

Marc van der Kamp

Peng Tao

Erhu Cao

Jesse Rinehart

Jean-Philip Piquemal

federica battistini

Nathalie Reuter

John Kitchin

Zoe Cournia

Maria Antonietta La Serra

Bingqing Cheng

Carol A. Parish

FEDERICO RASTRELLI

Shina Caroline Lynn Kamerlin

Megan O'Mara

Sameer Velankar

ivet bahar

Iñaki Tuñón

Travis Wheeler

Bernard Choi

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