Marco De Vivo

University of California, Riverside — United States

Biochemistry, Genetics and Molecular Biology · Life Sciences

40h-index6.1kcitations182works3.12yr avg
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Research Topics

RNA and protein synthesis mechanisms(24), DNA and Nucleic Acid Chemistry(23), Protein Structure and Dynamics(22), Advanced biosensing and bioanalysis techniques(18), Cancer therapeutics and mechanisms(18)

Publications182 total

Graph neural networks for molecular dynamics simulations
Current Opinion in Structural Biology·2026
BPS2026 – Graph neural networks for exploring complex biological mechanisms
Biophysical Journal·2026
BPS2026 – Biophysical principles for expanding PAM compatibility in CRISPR-Cas9 variants
Biophysical Journal·2026
BPS2026 – Physics-constraint deep learning to understand and design base editors
Biophysical Journal·2026
Computation and deep-learning-driven advances in CRISPR genome editing
Nature Structural & Molecular Biology·2026· 1 cited
Dynamic assembly of a large multidomain ribozyme visualized by cryo-electron microscopy
Nature Communications·2025· 1 citedOpen Access
A Scoring Function for Monolayer-Protected Gold Nanoparticles Capable of Recognizing Small Organic Molecules in Solution
Journal of Chemical Theory and Computation·2025Open Access
CDC42-effector interaction inhibitors alter patterns of vessel arborization in skin and tumors in vivo
iScience·2025Open Access
Metal coordination and enzymatic reaction of the glioma-target R132H isocitrate dehydrogenase 1: Insights by molecular simulations
PLoS ONE·2025· 2 citedOpen Access
Coordinated Residue Motions at the Enzyme–Substrate Interface Promote DNA Translocation in Polymerases
Journal of the American Chemical Society·2025· 2 citedOpen Access
Tetrahydropyrido[4,3-d]pyrimidines as a new active scaffold for human topoisomerase II inhibitors
Scientific Reports·2025Open Access
Machine Learning and Statistical Mechanics: Shared Synergies for Next Generation of Chemical Theory and Computation
Journal of Chemical Theory and Computation·2025· 3 cited
Aliphatic Polyester Recognition and Reactivity at the Active Cleft of a Fungal Cutinase
Journal of Chemical Information and Modeling·2025· 1 citedOpen Access
The need to implement FAIR principles in biomolecular simulations
Nature Methods·2025· 38 citedOpen Access
Author response for "Rational Design of Gold Nanoparticle-based Chemosensors for Detection of the Tumor Marker 3-methoxytyramine"
2025
Structural basis for human NKCC1 inhibition by loop diuretic drugs
The EMBO Journal·2025· 4 citedOpen Access
Dynamic assembly of a large multidomain ribozyme visualized by cryo-electron microscopy
2025· 1 citedOpen Access
Rational design of gold nanoparticle-based chemosensors for detection of the tumor marker 3-methoxytyramine
Chemical Science·2025· 3 citedOpen Access
The Next Twenty Years of the Journal of Chemical Theory and Computation
Journal of Chemical Theory and Computation·2024
On the Power and Challenges of Atomistic Molecular Dynamics to Investigate RNA Molecules
Journal of Chemical Theory and Computation·2024· 14 cited
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Frequent Co-authors

Andrea Cavalli(14), Laura Riccardi(10), Matteo Dal Peraro(10), Giulia Palermo(9), Michael L. Klein(8), Vito Genna(6), Pietro Vidossich(4), Marco Marcia(4), Fabrizio Mancin(4), Daniele Piomelli(4), Paolo Carloni(4), Claudia Sissi(4), Jacopo Manigrasso(3), Bernd Ensing(3), Sebastián Franco-Ulloa(3), Giuseppina La Sala(3), Alessio Lodola(3), Davide Branduardi(3), Marco Borgogno(3), Laura Cancedda(3)