Daniele Granata
Daniele Granata
Specialist Scientist at Molecular Modelling and Design (MMD) Department, Novo Nordisk, Denmark
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Cancer mutations of the tumor suppressor SPOP disrupt the formation of active, phase-separated compartments
JJ Bouchard, JH Otero, DC Scott, E Szulc, EW Martin, N Sabri, D Granata, ...
Molecular cell 72 (1), 19-36. e8, 2018
Characterization of the free-energy landscapes of proteins by NMR-guided metadynamics
D Granata, C Camilloni, M Vendruscolo, A Laio
Proceedings of the National Academy of Sciences 110 (17), 6817-6822, 2013
The inverted free energy landscape of an intrinsically disordered peptide by simulations and experiments
D Granata, F Baftizadeh, J Habchi, C Galvagnion, A De Simone, ...
Scientific reports 5 (1), 15449, 2015
Free energy surface of an intrinsically disordered protein: comparison between temperature replica exchange molecular dynamics and bias-exchange metadynamics
GH Zerze, CM Miller, D Granata, J Mittal
Journal of chemical theory and computation 11 (6), 2776-2782, 2015
Accurate estimation of the intrinsic dimension using graph distances: Unraveling the geometric complexity of datasets
D Granata, V Carnevale
Scientific reports 6 (1), 31377, 2016
A simple and efficient statistical potential for scoring ensembles of protein structures
P Cossio, D Granata, A Laio, F Seno, A Trovato
Scientific Reports 2 (1), 351, 2012
Dynamic activation and regulation of the mitogen-activated protein kinase p38
GS Kumar, MW Clarkson, MBA Kunze, D Granata, AJ Wand, ...
Proceedings of the National Academy of Sciences 115 (18), 4655-4660, 2018
Analysis of the destabilization of bacterial membranes by quaternary ammonium compounds: a combined experimental and computational study
S Alkhalifa, MC Jennings, D Granata, M Klein, WM Wuest, KPC Minbiole, ...
ChemBioChem 21 (10), 1510-1516, 2020
Ion channel sensing: Are fluctuations the crux of the matter?
MA Kasimova, A Yazici, Y Yudin, D Granata, ML Klein, T Rohacs, ...
The journal of physical chemistry letters 9 (6), 1260-1264, 2018
Fluorine-19 NMR and computational quantification of isoflurane binding to the voltage-gated sodium channel NaChBac
MN Kinde, V Bondarenko, D Granata, W Bu, KC Grasty, PJ Loll, ...
Proceedings of the National Academy of Sciences 113 (48), 13762-13767, 2016
Patterns of coevolving amino acids unveil structural and dynamical domains
D Granata, L Ponzoni, C Micheletti, V Carnevale
Proceedings of the National Academy of Sciences 114 (50), E10612-E10621, 2017
A hypothetical molecular mechanism for TRPV1 activation that invokes rotation of an S6 asparagine
MA Kasimova, AT Yazici, Y Yudin, D Granata, ML Klein, T Rohacs, ...
Journal of General Physiology 150 (11), 1554-1566, 2018
Conserved conformational dynamics determine enzyme activity
KR Torgeson, MW Clarkson, D Granata, K Lindorff-Larsen, R Page, ...
Science Advances 8 (31), eabo5546, 2022
Voltage-gated sodium channels: Evolutionary history and distinctive sequence features
MA Kasimova, D Granata, V Carnevale
Current topics in membranes 78, 261-286, 2016
Propofol inhibits the voltage-gated sodium channel NaChBac at multiple sites
Y Wang, E Yang, MM Wells, V Bondarenko, K Woll, V Carnevale, ...
Journal of General Physiology 150 (9), 1317-1331, 2018
Native fold and docking pose discrimination by the same residue‐based scoring function
E Sarti, D Granata, F Seno, A Trovato, A Laio
Proteins: Structure, Function, and Bioinformatics 83 (4), 621-630, 2015
Mining protein evolution for insights into mechanisms of voltage-dependent sodium channel auxiliary subunits
S Molinarolo, D Granata, V Carnevale, CA Ahern
Voltage-gated Sodium Channels: Structure, Function and Channelopathies, 33-49, 2018
Propofol inhibits prokaryotic voltage-gated Na+ channels by promoting activation-coupled inactivation
E Yang, D Granata, RG Eckenhoff, V Carnevale, M Covarrubias
Journal of General Physiology 150 (9), 1299-1316, 2018
Sequence and structural conservation reveal fingerprint residues in TRP channels
D Cabezas-Bratesco, FA Mcgee, CK Colenso, K Zavala, D Granata, ...
Elife 11, e73645, 2022
Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli
L Hamborg, D Granata, JG Olsen, JV Roche, LE Pedersen, AT Nielsen, ...
Communications biology 4 (1), 980, 2021
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