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Ferruccio Palazzesi

Observed name: Palazzesi, Ferruccio
Observed institutions: Boehringer Ingelheim (Germany), ETH Zurich, Aptuit (Italy), Università della Svizzera italiana, University of Bologna, Evotec (United States)
ORCID: 0000-0003-1534-4781
Observed ORCID: 0000-0003-1534-4781
OpenAlex ID: A5034005739
A molecular dynamics investigation of structure and dynamics of SDS and SDBS micelles
2011 · Ferruccio Palazzesi, Matteo Calvaresi, et al. · Soft Matter · 135
Accuracy of Current All-Atom Force-Fields in Modeling Protein Disordered States
2014 · Ferruccio Palazzesi, Meher K. Prakash, et al. · Journal of Chemical Theory and Computation · 120
The allosteric communication pathways in KIX domain of CBP
2013 · Ferruccio Palazzesi, Alessandro Barducci, et al. · Proceedings of the National Academy of Sciences · 65
BIreactive: A Machine-Learning Model to Estimate Covalent Warhead Reactivity
2020 · Ferruccio Palazzesi, Markus R. Hermann, et al. · Journal of Chemical Information and Modeling · 47
Real-World Applications and Experiences of AI/ML Deployment for Drug Discovery
2025 · Will R. Pitt, Jonathan Bentley, et al. · Journal of Medicinal Chemistry · 46
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Focus on PNA Flexibility and RNA Binding using Molecular Dynamics and Metadynamics
2017 · Massimiliano Donato Verona, Vincenzo Verdolino, et al. · Scientific Reports · 44
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A Fast Ab Initio Predictor Tool for Covalent Reactivity Estimation of Acrylamides
2019 · Ferruccio Palazzesi, Marc A. Grundl, et al. · Journal of Chemical Information and Modeling · 41
Deep Learning Applied to Ligand-Based De Novo Drug Design
2021 · Ferruccio Palazzesi, Alfonso Pozzan · Methods in molecular biology · 31
Folding intermediate states of the parallel human telomeric G-quadruplex DNA explored using Well-Tempered Metadynamics
2020 · Roberta Rocca, Ferruccio Palazzesi, et al. · Scientific Reports · 31
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Conformational Entropy as Collective Variable for Proteins
2017 · Ferruccio Palazzesi, Omar Valsson, et al. · The Journal of Physical Chemistry Letters · 27
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Facile synthesis of stable, water soluble, dendron-coated gold nanoparticles
2017 · Alan E. Enciso, Giovanni Doni, et al. · Nanoscale · 24
The impact of methylphenidate and its enantiomers on dopamine synthesis and metabolism in vitro
2017 · Jasmin Bartl, Ferruccio Palazzesi, et al. · Progress in Neuro-Psychopharmacology and Biological Psychiatry · 18
de Broglie Swapping Metadynamics for Quantum and Classical Sampling
2015 · Marco Nava, Ruge Quhe, et al. · Journal of Chemical Theory and Computation · 9
Dimer Metadynamics
2016 · Marco Nava, Ferruccio Palazzesi, et al. · Journal of Chemical Theory and Computation · 8
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Communication: Role of explicit water models in the helix folding/unfolding processes
2016 · Ferruccio Palazzesi, Matteo Salvalaglio, et al. · The Journal of Chemical Physics · 8
General Protein Data Bank-Based Collective Variables for Protein Folding
2015 · Albert Ardevol, Ferruccio Palazzesi, et al. · Journal of Chemical Theory and Computation · 8
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Correction: Facile synthesis of stable, water soluble, dendron-coated gold nanoparticles
2017 · Alan E. Enciso, Giovanni Doni, et al. · Nanoscale · 3
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Assessing the state of the art in ADMET prediction: Lessons from the OpenADMET-ExpansionRx community blind challenge
2026 · Maria A. Castellanos, Hugo MacDermott-Opeskin, et al. · ChemRxiv · 1
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Combined Computational and Experimental NMR Study of Calix[4]arene Derivatives
2012 · Vincenzo Verdolino, Laura Baldini, et al. · The Journal of Physical Chemistry C · 1
Assessing the state of the art in ADMET prediction: Lessons from the OpenADMET-ExpansionRx community blind challenge
2026 · Maria A. Castellanos, Hugo MacDermott-Opeskin, et al. · ChemRxiv
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Assessing the state of the art in ADMET prediction: Lessons from the OpenADMET-ExpansionRx community blind challenge
2026 · Maria A. Castellanos, Hugo MacDermott-Opeskin, et al. · ChemRxiv
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安定,水に可溶なデンドロン被覆金ナノ粒子の容易な合成【Powered by NICT】
2017 · E Enciso Alan, Doni Giovanni, et al. · Nanoscale
Application of standard and enhanced sampling approaches on non-canonical structures of DNA and RNA
2017 · Federica Moraca, Roberta Rocca, et al.
Works count: 24
Citation count: 667
H-index: 12
I10-index: 12
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