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Ferruccio Palazzesi
Ferruccio Palazzesi
Senior Supervisor (aka Team Leader), Evotec
在 evotec.com 的电子邮件经过验证
标题
引用次数
引用次数
年份
A molecular dynamics investigation of structure and dynamics of SDS and SDBS micelles
F Palazzesi, M Calvaresi, F Zerbetto
Soft Matter 7 (19), 9148-9156, 2011
1332011
Accuracy of current all-atom force-fields in modeling protein disordered states
F Palazzesi, MK Prakash, M Bonomi, A Barducci
Journal of chemical theory and computation 11 (1), 2-7, 2015
1262015
The allosteric communication pathways in KIX domain of CBP
F Palazzesi, A Barducci, M Tollinger, M Parrinello
Proceedings of the National Academy of Sciences 110 (35), 14237-14242, 2013
762013
Focus on PNA flexibility and RNA binding using molecular dynamics and metadynamics
MD Verona, V Verdolino, F Palazzesi, R Corradini
Scientific reports 7 (1), 42799, 2017
402017
BIreactive: a machine-learning model to estimate covalent warhead reactivity
F Palazzesi, MR Hermann, MA Grundl, A Pautsch, D Seeliger, ...
Journal of Chemical Information and Modeling 60 (6), 2915-2923, 2020
372020
A fast ab initio predictor tool for covalent reactivity estimation of acrylamides
F Palazzesi, MA Grundl, A Pautsch, A Weber, CS Tautermann
Journal of Chemical Information and Modeling 59 (8), 3565-3571, 2019
372019
Deep learning applied to ligand-based de novo drug design
F Palazzesi, A Pozzan
Artificial intelligence in drug design, 273-299, 2022
282022
Folding intermediate states of the parallel human telomeric G-quadruplex DNA explored using Well-Tempered Metadynamics
R Rocca, F Palazzesi, J Amato, G Costa, F Ortuso, B Pagano, ...
Scientific reports 10 (1), 3176, 2020
242020
Facile synthesis of stable, water soluble, dendron-coated gold nanoparticles
AE Enciso, G Doni, R Nifosì, F Palazzesi, R Gonzalez, AA Ellsworth, ...
Nanoscale 9 (9), 3128-3132, 2017
222017
The impact of methylphenidate and its enantiomers on dopamine synthesis and metabolism in vitro
J Bartl, F Palazzesi, M Parrinello, L Hommers, P Riederer, S Walitza, ...
Progress in Neuro-Psychopharmacology and Biological Psychiatry 79, 281-288, 2017
202017
Conformational Entropy as Collective Variable for Proteins
F Palazzesi, O Valsson, M Parrinello
J. Phys. Chem. Lett. 8, 4752-4756, 2017
202017
de Broglie swapping metadynamics for quantum and classical sampling
M Nava, R Quhe, F Palazzesi, P Tiwary, M Parrinello
Journal of chemical theory and computation 11 (11), 5114-5119, 2015
162015
Dimer metadynamics
M Nava, F Palazzesi, C Perego, M Parrinello
Journal of chemical theory and computation 13 (2), 425-430, 2017
92017
Communication: Role of explicit water models in the helix folding/unfolding processes
F Palazzesi, M Salvalaglio, A Barducci, M Parrinello
The Journal of chemical physics 145 (12), 2016
82016
General protein data bank-based collective variables for protein folding
A Ardevol, F Palazzesi, GA Tribello, M Parrinello
Journal of chemical theory and computation 12 (1), 29-35, 2016
82016
Combined Computational and Experimental NMR Study of Calix [4] arene Derivatives
V Verdolino, L Baldini, F Palazzesi, F Giberti, M Parrinello
The Journal of Physical Chemistry C 116 (44), 23441-23452, 2012
22012
BRIDGED RING COMPOUNDS AND THEIR THERAPEUTIC USE AS CNS AGENTS
B Alan, M Fabrizio, M Alessandra, P Ferruccio, C Agostino, T Robin, ...
WO Patent WO2,023,156,565, 2023
2023
Protein Conformational Dynamics: a Computational Study
F Palazzesi
ETH Zurich, 2015
2015
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