Davide Branduardi

8.8k citations

29 papers · 5.5k indexed · 2 hit papers · h-index 20

Molecular Biology top 2%
- Protein Structure and Dynamics 13
- RNA and protein synthesis mechanisms 3
Spectroscopy top 1%
- Mass Spectrometry Techniques and Applications 3
Atomic and Molecular Physics, and Optics top 2%
- Spectroscopy and Quantum Chemical Studies 3
- Advanced Chemical Physics Studies 3
- Force Microscopy Techniques and Applications 2
Materials Chemistry top 5%
- Machine Learning in Materials Science 3
Computational Theory and Mathematics top 1%
- Computational Drug Discovery Methods 5

Co-authors: Giovanni Bussi Massimiliano Bonomi Carlo Camilloni Gareth A. Tribello Michele Parrinello Francesco Luigi Gervasio Fabrizio Marinelli Davide Donadio
Cited by: Molecular Biology Spectroscopy Atomic and Molecular Physics, and Optics
Journals: Proceedings of the National Academy of Sciences (2 papers)Journal of the American Chemical Society (5 papers)Nature Communications (1 paper)
Partner nations: Italy Switzerland United States

In The Last Decade

Davide Branduardi

27 papers receiving 5.5k citations

Hit Papers

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Peers

Countries citing papers authored by Davide Branduardi

Since Specialization

Citations

This map shows the geographic impact of Davide Branduardi's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Davide Branduardi with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Davide Branduardi more than expected).

Fields of papers citing papers by Davide Branduardi

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Davide Branduardi. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Davide Branduardi. The network helps show where Davide Branduardi may publish in the future.

Co-authorship network

The 25 scholars most cited alongside Davide Branduardi, linked wherever they have co-authored with each other. Click a name or a connecting line to browse the papers they share.

Border = papers with Davide Branduardi Line = papers co-authored together Davide Branduardi links everyone, so they are left out of the graph.

All Works

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20 of 20 papers shown

#	Work
1	Accelerating fragment-based drug discovery using grand canonical nonequilibrium candidate Monte Carlo Nature Communications ·William G. Poole,Marley L. Samways,Davide Branduardi,Richard D. Taylor,Marcel L. Verdonk,Jonathan W. Essex	2025	0
2	Toward Automated Physics-Based Absolute Drug Residence Time Predictions Journal of Chemical Information and Modeling ·Zachary Smith,Davide Branduardi,Dmitry Lupyan,G. D’Arrigo,Pratyush Tiwary,Lingle Wang,Goran Krilov	2025	0
3	De novo design of D-peptide ligands: Application to influenza virus hemagglutinin Proceedings of the National Academy of Sciences ·Jarek Juraszek,Rameshwar U. Kadam,Davide Branduardi,Jeroen van Ameijde,Divita Garg,Nicolas Dailly,Mandy Jongeneelen,Jan Vermond,Just P. J. Brakenhoff,Boerries Brandenburg,Maria J. P. van Dongen,Ronald Vogels,Robert H. Friesen,Ian A. Wilson	2025	1
4	Atomic‐resolution dissection of the energetics and mechanism of isomerization of hydrated ATP‐Mg²⁺ through the SOMA string method Journal of Computational Chemistry ·Davide Branduardi,Fabrizio Marinelli,José D. Faraldo‐Gómez	2015	10
5	PLUMED 2: New feathers for an old birdbreakdown → Computer Physics Communications ·Gareth A. Tribello,Massimiliano Bonomi,Davide Branduardi,Carlo Camilloni,Giovanni Bussi	2013	2485
6	Discovery of a New Class of Highly Potent Inhibitors of Acid Ceramidase: Synthesis and Structure–Activity Relationship (SAR) Journal of Medicinal Chemistry ·Daniela Pizzirani,Chiara Pagliuca,Natalia Realini,Davide Branduardi,Giovanni Bottegoni,Marco Mor,Fabio Bertozzi,Rita Scarpelli,Daniele Piomelli,Tiziano Bandiera	2013	40
7	String Method for Calculation of Minimum Free-Energy Paths in Cartesian Space in Freely Tumbling Systems Journal of Chemical Theory and Computation ·Davide Branduardi,José D. Faraldo‐Gómez	2013	26
8	Theoretical Insights into the Mechanism of Carbon Monoxide (CO) Release from CO‐Releasing Molecules Chemistry - A European Journal ·Sai V. C. Vummaleti,Davide Branduardi,Matteo Masetti,Marco De Vivo,Roberto Motterlini,Andrea Cavalli	2012	27
9	A Catalytic Mechanism for Cysteine N-Terminal Nucleophile Hydrolases, as Revealed by Free Energy Simulations PLoS ONE ·Alessio Lodola,Davide Branduardi,Marco De Vivo,Luigi Capoferri,Marco Mor,Daniele Piomelli,Andrea Cavalli	2012	59
10	A chirality‐based metrics for free‐energy calculations in biomolecular systems Journal of Computational Chemistry ·Adriana Pietropaolo,Davide Branduardi,Massimiliano Bonomi,Michele Parrinello	2011	20
11	Investigating the Mechanism of Substrate Uptake and Release in the Glutamate Transporter Homologue Glt_Ph through Metadynamics Simulations Journal of the American Chemical Society ·Giovanni Grazioso,Vittorio Limongelli,Davide Branduardi,Ettore Novellino,Carlo De Micheli,Andrea Cavalli,Michele Parrinello	2011	61
12	Covalent Inhibitors of Fatty Acid Amide Hydrolase: A Rationale for the Activity of Piperidine and Piperazine Aryl Ureas Journal of Medicinal Chemistry ·Giulia Palermo,Davide Branduardi,Matteo Masetti,Alessio Lodola,Marco Mor,Daniele Piomelli,Andrea Cavalli,Marco De Vivo	2011	34
13	Free-Energy-Based Methods for Binding Profile Determination in a Congeneric Series of CDK2 Inhibitors The Journal of Physical Chemistry B ·Jérémy Fidelak,Jarek Juraszek,Davide Branduardi,Marc Bianciotto,Francesco Luigi Gervasio	2010	45
14	Quantitative Assessment of the Complex Dynamics of G1, S, and G2-M Checkpoint Activities Cancer Research ·Paolo Ubezio,Monica Lupi,Davide Branduardi,Paolo Cappella,Edoardo Cavallini,Valentina Colombo,Giada Matera,Claudia Natoli,Daniela Tomasoni,Maurizio D’Incalci	2009	19
15	Conformational Changes and Gating at the Selectivity Filter of Potassium Channels Journal of the American Chemical Society ·Cármen Domene,Michael L. Klein,Davide Branduardi,Francesco Luigi Gervasio,Michele Parrinello	2008	50
16	The role of Li⁺, Na⁺, and K⁺ in the ligand binding inside the human acetylcholinesterase gorge Proteins Structure Function and Bioinformatics ·Gabriele Petraglio,Manuela Bartolini,Davide Branduardi,Vincenza Andrisano,Maurizio Recanatini,Francesco Luigi Gervasio,Andrea Cavalli,Michele Parrinello	2007	10
17	From A to B in free energy space The Journal of Chemical Physics ·Davide Branduardi,Francesco Luigi Gervasio,Michele Parrinello	2007	479
18	Binding sites for SiH2/Si(0 0 1): A combined ab initio, tight-binding, and classical investigation Surface Science ·S. Cereda,Francesco Montalenti,Marco Cogoni,Davide Branduardi,Marian W. Radny,P.V. Smith,Leo Miglio	2006	6
19	The Role of the Peripheral Anionic Site and Cation−π Interactions in the Ligand Penetration of the Human AChE Gorge Journal of the American Chemical Society ·Davide Branduardi,Francesco Luigi Gervasio,Andrea Cavalli,Maurizio Recanatini,Michele Parrinello	2005	89
20	Cytostatic and Cytotoxic Effects of Topotecan Decoded by a Novel Mathematical Simulation Approach Cancer Research ·Monica Lupi,Giada Matera,Davide Branduardi,Maurizio D’Incalci,Paolo Ubezio	2004	26

About Davide Branduardi

Davide Branduardi is a scholar working on Structural Biology, Spectroscopy and Molecular Biology, having authored 29 papers that have together received 5.5k indexed citations. Recurring topics across this work include Protein Structure and Dynamics (13 papers), Computational Drug Discovery Methods (5 papers), Spectroscopy and Quantum Chemical Studies (3 papers), Machine Learning in Materials Science (3 papers), Mass Spectrometry Techniques and Applications (3 papers), RNA and protein synthesis mechanisms (3 papers), Advanced Chemical Physics Studies (3 papers) and Force Microscopy Techniques and Applications (2 papers). The work is most often cited by research in Molecular Biology (3.4k citations), Spectroscopy (580 citations) and Atomic and Molecular Physics, and Optics (1.0k citations). Davide Branduardi has collaborated with scholars based in Italy, Switzerland and United States. Frequent co-authors include Giovanni Bussi, Massimiliano Bonomi, Carlo Camilloni, Gareth A. Tribello, Michele Parrinello, Francesco Luigi Gervasio, Fabrizio Marinelli, Davide Donadio, Paolo Raiteri and Fabio Pietrucci. Their work appears in journals such as Proceedings of the National Academy of Sciences, Journal of the American Chemical Society and Nature Communications.

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