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Theoretical and Computational Chemistry

Working Paper

Swarm-CG: Automatic Parametrization of Bonded Terms in Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization

Charly Empereur-mot, Luca Pesce, Davide Bochicchio, Claudio Perego, Giovanni M. Pavan

Version 2 posted 08 July 2020

764

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2

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Polymer Science

Working Paper

Development of a Transferable Coarse-Grained Model of Polydimethylsiloxane

Sonia Cambiaso, Giulia Rossi, Davide Bochicchio

Version 1 posted 11 July 2022

205

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Physical Chemistry

Working Paper

Towards Chemotactic Supramolecular Nanoparticles: From Autonomous Surface Motion Following Specific Chemical Gradients to Multivalency-Controlled Disassembly

Chiara Lionello, Andrea Gardin, Annalisa Cardellini, Davide Bochicchio, Manisha Shivrayan, Ann Fernandez, S Thayumanavan, Giovanni M. Pavan

Version 1 posted 14 June 2021

344

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Identifying and Tracking Defects in Dynamic Supramolecular Polymers

Piero Gasparotto, Davide Bochicchio, Michele Ceriotti, Giovanni M. Pavan

Version 4 posted 23 December 2019

1,778

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Organic Chemistry

Working Paper

Controlling Exchange Pathways in Dynamic Supramolecular Polymers by Controlling Defects

Anna Lucia de Marco, Davide Bochicchio, Andrea Gardin, Giovanni Doni, Giovanni M. Pavan

Version 2 posted 02 February 2021

517

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1

Citations

Nanoscience

Working Paper

Dumbbells, chains, and ribbons: anisotropic self-assembly of isotropic nanoparticles

Enrico Lavagna, Sebastian Salassi, Davide Bochicchio, GIULIA ROSSI

Version 1 posted 31 March 2023

202

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Biological and Medicinal Chemistry

Working Paper

Accurate physics-based prediction of binding affinities of RNA and DNA targeting ligands

Ara M. Abramyan, Anna Bochicchio, Chuanjie Wu, Wolfgang Damm, David R. Langley, Devleena Shivakumar, Dmitry Lupyan, Lingle Wang, Edward Harder, Eliud O. Oloo

Version 2 posted 26 August 2024

516

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Materials Science

Working Paper

Modeling Solid-Liquid Interfaces in MARTINI 3

Sonia Cambiaso, Andrea Tagliabue, Davide Bochicchio, Antonio Tinti, Fabio Rasera Figueiredo, Alberto Giacomello, Luca Monticelli, Giulia Rossi

Version 1 posted 05 November 2024

562

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8 results in Davide Bochicchio in Authors: Davide Bochicchio

Swarm-CG: Automatic Parametrization of Bonded Terms in Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization

Development of a Transferable Coarse-Grained Model of Polydimethylsiloxane

Towards Chemotactic Supramolecular Nanoparticles: From Autonomous Surface Motion Following Specific Chemical Gradients to Multivalency-Controlled Disassembly

Identifying and Tracking Defects in Dynamic Supramolecular Polymers

Controlling Exchange Pathways in Dynamic Supramolecular Polymers by Controlling Defects

Dumbbells, chains, and ribbons: anisotropic self-assembly of isotropic nanoparticles

Accurate physics-based prediction of binding affinities of RNA and DNA targeting ligands

Modeling Solid-Liquid Interfaces in MARTINI 3

8 results in Authors: Davide Bochicchio