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Mara Chiricotto
Mara Chiricotto
STFC Hartree Centre, Scitech Daresbury
Bestätigte E-Mail-Adresse bei stfc.ac.uk
Titel
Zitiert von
Zitiert von
Jahr
Amyloid oligomers: A joint experimental/computational perspective on Alzheimer’s disease, Parkinson’s disease, type II diabetes, and amyotrophic lateral sclerosis
PH Nguyen, A Ramamoorthy, BR Sahoo, J Zheng, P Faller, JE Straub, ...
Chemical reviews 121 (4), 2545-2647, 2021
4612021
Hydrodynamic effects on β-amyloid (16-22) peptide aggregation
M Chiricotto, S Melchionna, P Derreumaux, F Sterpone
The Journal of chemical physics 145 (3), 2016
602016
Structure of geminal imidazolium bis (trifluoromethylsulfonyl) imide dicationic ionic liquids: a theoretical study of the liquid phase
E Bodo, M Chiricotto, R Caminiti
The Journal of Physical Chemistry B 115 (49), 14341-14347, 2011
492011
Semantic interoperability and characterization of data provenance in computational molecular engineering
MT Horsch, C Niethammer, G Boccardo, P Carbone, S Chiacchiera, ...
Journal of Chemical & Engineering Data 65 (3), 1313-1329, 2019
472019
Multiscale Aggregation of the Amyloid Aβ16–22 Peptide: From Disordered Coagulation and Lateral Branching to Amorphous Prefibrils
M Chiricotto, S Melchionna, P Derreumaux, F Sterpone
The journal of physical chemistry letters 10 (7), 1594-1599, 2019
352019
Multiscale simulation of molecular processes in cellular environments
M Chiricotto, F Sterpone, P Derreumaux, S Melchionna
Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2016
262016
Coarse‐grained and All‐atom Simulations towards the Early and Late Steps of Amyloid Fibril Formation
M Chiricotto, TT Tran, PH Nguyen, S Melchionna, F Sterpone, ...
Israel Journal of Chemistry 57 (7-8), 564-573, 2017
242017
Role of long-range electrostatic interactions and local topology of the hydrogen bond network in the wettability of fully and partially wetted single and multilayer graphene
M Chiricotto, F Martelli, G Giunta, P Carbone
The Journal of Physical Chemistry C 125 (11), 6367-6377, 2021
192021
Calculation of the work of adhesion of polyisoprene on graphite by molecular dynamics simulations
M Chiricotto, G Giunta, HA Karimi-Varzaneh, P Carbone
Soft Materials 18 (2-3), 140-149, 2020
172020
Wettability of graphite under 2D confinement
Z Wei, M Chiricotto, JD Elliott, F Martelli, P Carbone
Carbon 198, 132-141, 2022
142022
Accelerating the generalized born with molecular volume and solvent accessible surface area implicit solvent model using graphics processing units
X Gong, M Chiricotto, X Liu, E Nordquist, M Feig, CL Brooks III, J Chen
Journal of computational chemistry 41 (8), 830-838, 2020
142020
Multiscale Modelling of Heterogeneous Fillers in Polymer Composites: the Case of Polyisoprene and Carbon-Black
G Giunta, M Chiricotto, I Jackson, HA Karimi-Varzaneh, P Carbone
Journal of Physics: Condensed Matter, 2021
82021
Do specific ion effects influence the physical chemistry of aqueous graphene-based supercapacitors? Perspectives from multiscale QMMD simulations
JD Elliott, M Chiricotto, A Troisi, P Carbone
Carbon 207, 292-304, 2023
72023
Structural, Energetic, and Electronic Properties of La (III)–Dimethyl Sulfoxide Clusters
E Bodo, M Chiricotto, R Spezia
The Journal of Physical Chemistry A 118 (49), 11602-11611, 2014
62014
Ontology-based semantic interoperability on the virtual materials marketplace
MT Horsch, S Chiacchiera, MA Seaton, IT Todorov, R Kunze, G Summer, ...
CEUR WORKSHOP PROCEEDINGS 2721, 134-138, 2020
22020
Hydrodynamic effect on β-amyloid peptide aggregation
M Chiricotto
Sorbonne Paris Cité, 2016
2016
Hydrodynamic Effects on Amyloid-β Aggregation
M Chiricotto, S Melchionna, P Derreumaux, F Sterpone
Biophysical Journal 110 (3), 219a, 2016
2016
Effets hydrodynamiques sur l’agrégation de l’amyloïde Aß
DPSF Chiricotto Mara, Melchionna Simone
La Lettre de l'IDRIS 6, 6-7, 2016
2016
Accelerating GBMV2/SA Implicit Solvent Using Graphics Processing Units 2
X Gong, M Chiricotto, X Liu, E Nordquist, M Feig, CL Brooks III, J Chen
methodology 43, 44, 0
Amyloid fibril aggregation by A-β (16-22) and the shear-flow effects
M Chiricotto, S Melchionna, P Derreumaux, F Sterpone
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