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Paolo Carloni

forschungszentrum jülich gmbh

63H-index
522Paper Count
1.5WCitation Count
Published Papers 201
Publication Date
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hexABC seeking the physical code of DNA
errNature Communications
IF15.7
err2026-06-24
err0
errOAAI
errFederica Battistini; Miłosz Wieczór; Adam Hospital; Marco Pasi; Juan Pablo Arcón; Israel Serrano-Chacón; Alba Sala; Subhamoy Deb; Agustín García-Doñate; Matthew Burman; Elliot W. Chan; Liwei Chang; Gabriela da Rosa; Jorge R. Espinosa; Gia Linh Hoang; Kazi A. Hossain; Michał Jurkowski; Romain Poupon; Rahul Sharma; Ran Sun; Thomas C. Bishop; Paolo Carloni; Thomas E. Cheatham; Rosana Collepardo-Guevara; Jacek Czub; Pablo D. Dans; Sarah A. Harris; Charles Laughton; Rodrigo Galindo-Murillo; John H. Maddocks; Agnes Noy; Alberto Pérez; Daiva Petkevičiūtė-Gerlach; Modesto Orozco
errShare
errSave
Decoding Cancer-Associated Mutations in DNA Polymerase η through Atomistic Simulations
errJournal of Chemical Theory and Computation
IF5.5
err2026-05-21
err0
errOAAI
errAlessia Visigalli; Paolo Carloni; Marco De Vivo
errShare
errSave
Binding pose depth modulates photoswitchable ligands’ efficacy at the 5-HT2A receptor
errCommunications Chemistry
IF6.2
err2026-02-12
err0
errOAAI
errVerena Weber; Giacomo Salvadori; Federico Natale; Hubert Gerwe; Michael Decker; Paolo Carloni; Giulia Rossetti
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errSave
Common characteristics of variants linked to autism spectrum disorder in the WAVE regulatory complex
errFRONTIERS IN COMPUTATIONAL NEUROSCIENCE
IF2.3
err2025-11-12
err0
errOAAI
errXie, Song; Zuo, Ke; De Rubeis, Silvia; Bonollo, Giorgio; Colombo, Giorgio; Ruggerone, Paolo; Carloni, Paolo
errShare
errSave
IR Spectroscopy: From Experimental Spectra to High-Resolution Structural Analysis by Integrating Simulations and Machine Learning
errThe Journal of Physical Chemistry B
IF2.9
err2025-10-29
err0
errOAAI
errMarvin Scherlo; Dominic Phillips; Ricarda Künne; Emiliano Ippoliti; Klaus Gerwert; Carsten Kötting; Paolo Carloni; Antonia S. J. S. Mey; Till Rudack
errShare
errSave
DNMT1-mediated regulation of somatostatin-positive interneuron migration impacts cortical architecture and function
errNature Communications
IF15.7
err2025-07-24
err0
errOAAI
errJulia Reichard; Philip Wolff; Song Xie; Ke Zuo; Camila L. Fullio; Jian Du; Severin Graff; Jenice Linde; Can Bora Yildiz; Georg Pitschelatow; Gerion Nabbefeld; Lilli Dorp; Johanna Vollmer; Linda Biemans; Shirley Kempf; Minali Singh; K. Naga Mohan; Chao-Chung Kuo; Tanja Vogel; Paolo Carloni; Simon Musall; Geraldine Zimmer-Bensch
errShare
errSave
Impact of Genetic Variants Associated with Neurodevelopmental Disorders on the WAVE Regulatory Complex
errJournal of Chemical Information and Modeling
IF5.3
err2025-07-09
err0
errOAAI
errSong Xie; Ke Zuo; Silvia De Rubeis; Giorgio Bonollo; Giorgio Colombo; Paolo Ruggerone; Paolo Carloni
errShare
errSave
Design; Synthesis; and In Vitro Characterization of a Tryptamine-Based Visible-Light Photoswitchable 5-HT2AR Ligand Showing Efficacy Preference for β-Arrestin over Mini-Gq
errJournal of Medicinal Chemistry
IF6.8
err2025-06-18
err0
PREAI
errAlexandra Sink; Eline Pottie; Samuel J. Carter; Robert J. Tombari; Verena Weber; Paolo Carloni; Giulia Rossetti; David E. Olson; Christophe P. Stove; Michael Decker
errShare
errSave
Application of a novel RNA-protein interaction assay to develop inhibitors blocking RNA-binding of the HuR protein
errFRONTIERS IN GENETICS
IF2.8
err2025-03-05
err0
errOAAI
errFilcenkova, Larissa; Reisbitzer, Annika; Joseph, Benjamin Philipp; Weber, Verena; Carloni, Paolo; Krauss, Sybille
errShare
errSave
Rational Design of Ligands with Optimized Residence Time
errACS PHARMACOLOGY & TRANSLATIONAL SCIENCE
IF3.7
err2025-01-14
err0
errOAAI
errCarloni, P; Rossetti, G; Muller, CE
errShare
errSave
Atomistic adsorption of PETase onto large-scale PET 3D-models that mimic reality
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2025-01-01
err0
PREAI
errPaiva, P.; Ippoliti, E.; Carloni, P.; Fernandes, P. A.
errShare
errSave
Exascale simulations and beyond
errCURRENT OPINION IN STRUCTURAL BIOLOGY
IF7
err2024-12-01
err2
PREAI
errCarloni, Paolo; Sanbonmatsu, Karissa
errShare
errSave
3D DFT by block tensor-matrix multiplication via a modified Cannon's algorithm: Implementation and scaling on distributed-memory clusters with fat tree networks
errJOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING
IF4
err2024-11-01
err0
errOAAI
errMalapally, Nitin; Bolnykh, Viacheslav; Suarez, Estela; Carloni, Paolo; Lippert, Thomas; Mandelli, Davide
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errSave
Impact of Phosphorylation on the Physiological Form of Human alpha-Synuclein in Aqueous Solution
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-10-28
err0
errOAAI
errde Bruyn, Emile; Dorn, Anton Emil; Rossetti, Giulia; Fernandez, Claudio; Outeiro, Tiago F.; Schulz, Joerg B.; Carloni, Paolo
errShare
errSave
Transport mechanism of DgoT, a bacterial homolog of SLC17 organic anion transporters
errEMBO JOURNAL
IF8.3
err2024-10-25
err0
PREAI
errDmitrieva, Natalia; Gholami, Samira; Alleva, Claudia; Carloni, Paolo; Alfonso-Prieto, Mercedes; Fahlke, Christoph
errShare
errSave
Impact of quantum and neuromorphic computing on biomolecular simulations: Current status and perspectives
errCURRENT OPINION IN STRUCTURAL BIOLOGY
IF7
err2024-08-01
err0
errOAAI
errDiaz-Pier, Sandra; Carloni, Paolo
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errSave
MiMiC: A high-performance framework for multiscale molecular dynamics simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-07-11
err1
errOAAI
errAntalik, Andrej; Levy, Andrea; Kvedaraviciute, Sonata; Johnson, Sophia K.; Carrasco-Busturia, David; Raghavan, Bharath; Mouvet, Francois; Acocella, Angela; Das, Sambit; Gavini, Vikram; Mandelli, Davide; Ippoliti, Emiliano; Meloni, Simone; Carloni, Paolo; Rothlisberger, Ursula; Olsen, Jogvan Magnus Haugaard
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errSave
Effective data-driven collective variables for free energy calculations from metadynamics of paths
errPNAS NEXUS
IF3.8
err2024-04-12
err4
errOAAI
errMullender, Lukas; Rizzi, Andrea; Parrinello, Michele; Carloni, Paolo; Mandelli, Davide
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errSave
All-Atom Biomolecular Simulation in the Exascale Era
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-02-21
err2
PREAI
errBeck, Thomas L.; Carloni, Paolo; Asthagiri, Dilipkumar N.
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errSave
Kinetic and structural details of urease inactivation by thiuram disulphides
errJOURNAL OF INORGANIC BIOCHEMISTRY
IF3.2
err2024-01-01
err2
errOAAI
errMazzei, Luca; Paul, Arundhati; Cianci, Michele; Devodier, Marta; Mandelli, Davide; Carloni, Paolo; Ciurli, Stefano
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errSave

Research Directions

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Co-authors
Cooperation Journals
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Michele Parrinello
H-index: 155 · Papers: 924
S
Sven Cichon
H-index: 130 · Papers: 782
P
Patrick F. Chinnery
H-index: 128 · Papers: 937
P
Peter Nürnberg
H-index: 127 · Papers: 755
M
Michael L. Klein
H-index: 120 · Papers: 1.2K
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