Ferruccio Palazzesi
Ferruccio Palazzesi
Principal Scientist, Evotec
Verified email at evotec.com
Title
Cited by
Cited by
Year
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
882015
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
812011
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
642013
Focus on PNA Flexibility and RNA binding using molecular dynamics and metadynamics
MD Verona, V Verdolino, F Palazzesi, R Corradini
Scientific reports 7, 42799, 2017
202017
Facile synthesis of stable, water soluble, dendron-coated gold nanoparticles
AE Enciso, G Doni, R Nifosě, F Palazzesi, R Gonzalez, AA Ellsworth, ...
Nanoscale 9 (9), 3128-3132, 2017
142017
Conformational Entropy as Collective Variable for Proteins
F Palazzesi, O Valsson, M Parrinello
J. Phys. Chem. Lett. 8, 4752-4756, 2017
132017
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
112015
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
102019
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
102017
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), 121101, 2016
52016
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
52016
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, 2020
22020
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), 1-11, 2020
22020
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
Facile synthesis of stable, water soluble, dendron-coated gold nanoparticles (vol 9, pg 3128, 2017)
AE Enciso, G Doni, R Nifosi, F Palazzesi, R Gonzalez, AA Ellsworth, ...
NANOSCALE 9 (30), 10966-10966, 2017
2017
General, PDB-based collective variables for protein folding
A Ardevol, F Palazzesi, GA Tribello, M Parrinello
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Articles 1–17