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Roberto Menichetti
Roberto Menichetti
Research fellow, Physics Department, University of Trento
Подтвержден адрес электронной почты в домене unitn.it
Название
Процитировано
Процитировано
Год
Drug–membrane permeability across chemical space
R Menichetti, KH Kanekal, T Bereau
ACS central science 5 (2), 290-298, 2019
832019
An information-theory-based approach for optimal model reduction of biomolecules
M Giulini, R Menichetti, MS Shell, R Potestio
Journal of chemical theory and computation 16 (11), 6795-6813, 2020
512020
In silico screening of drug-membrane thermodynamics reveals linear relations between bulk partitioning and the potential of mean force
R Menichetti, KH Kanekal, K Kremer, T Bereau
The Journal of Chemical Physics 147 (12), 2017
412017
From system modeling to system analysis: The impact of resolution level and resolution distribution in the computer-aided investigation of biomolecules
M Giulini, M Rigoli, G Mattiotti, R Menichetti, T Tarenzi, R Fiorentini, ...
Frontiers in Molecular Biosciences 8, 676976, 2021
342021
Molecular dynamics trajectories for 630 coarse-grained drug-membrane permeations
C Hoffmann, A Centi, R Menichetti, T Bereau
Scientific Data 7 (1), 51, 2020
282020
Efficient potential of mean force calculation from multiscale simulations: solute insertion in a lipid membrane
R Menichetti, K Kremer, T Bereau
Biochemical and biophysical research communications 498 (2), 282-287, 2018
202018
Controlled exploration of chemical space by machine learning of coarse-grained representations
C Hoffmann, R Menichetti, KH Kanekal, T Bereau
Physical Review E 100 (3), 033302, 2019
182019
Coarse-graining polymer solutions: A critical appraisal of single-and multi-site models
G D’Adamo, R Menichetti, A Pelissetto, C Pierleoni
The European Physical Journal Special Topics 224 (12), 2239-2267, 2015
142015
A deep graph network–enhanced sampling approach to efficiently explore the space of reduced representations of proteins
F Errica, M Giulini, D Bacciu, R Menichetti, A Micheli, R Potestio
Frontiers in Molecular Biosciences 8, 637396, 2021
132021
A journey through mapping space: characterising the statistical and metric properties of reduced representations of macromolecules
R Menichetti, M Giulini, R Potestio
The European Physical Journal B 94, 1-26, 2021
122021
Revisiting the Meyer-Overton rule for drug-membrane permeabilities
R Menichetti, T Bereau
Molecular Physics 117 (20), 2900-2909, 2019
102019
Thermodynamics of star polymer solutions: A coarse-grained study
R Menichetti, A Pelissetto, F Randisi
The Journal of chemical physics 146 (24), 2017
102017
Comparing different coarse-grained potentials for star polymers
R Menichetti, A Pelissetto
The Journal of Chemical Physics 138 (12), 2013
62013
Integral equation analysis of single-site coarse-grained models for polymer–colloid mixtures
R Menichetti, G D’Adamo, A Pelissetto, C Pierleoni
Molecular Physics 113 (17-18), 2629-2642, 2015
32015
Coarse-grained Mori-Zwanzig dynamics in a time-non-local stationary-action framework
P Luchi, R Menichetti, G Lattanzi, R Potestio
arXiv preprint arXiv:2202.10756, 2022
12022
Accelerating the identification of informative reduced representations of proteins with deep learning for graphs
F Errica, M Giulini, D Bacciu, R Menichetti, A Micheli, R Potestio
arXiv preprint arXiv:2007.08658, 2020
12020
Investigating Drug-Membrane Permeability across Chemical Compound Space using High-Throughput Coarse-Grained Simulations
R Menichetti, KH Kanekal, T Bereau
Biophysical Journal 116 (3), 318a, 2019
12019
EXCOGITO, an extensible coarse-graining toolbox for the investigation of biomolecules by means of low-resolution representation
M Giulini, R Fiorentini, L Tubiana, R Potestio, R Menichetti
arXiv preprint arXiv:2403.08097, 2024
2024
Drug-membrane permeabilities across chemical space
R Menichetti, K Kanekal, T Bereau
APS March Meeting Abstracts 2019, R21. 001, 2019
2019
Computational high-throughput screening of drug-membrane thermodynamics
R Menichetti, KH Kanekal, K Kremer, T Bereau
APS March Meeting Abstracts 2018, S20. 006, 2018
2018
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