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Chemical Engineering and Industrial Chemistry

Working Paper

Autonomous and programmable reorganization of DNA-based polymers using redox chemistry

Serena Gentile, Erica Del Grosso, Leonard J. Prins, Francesco Ricci

Version 1 posted 14 July 2022

291

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Theoretical and Computational Chemistry

Working Paper

Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protease by Deep Docking of 1.3 Billion Compounds

Anh-Tien Ton, Francesco Gentile, Michael Hsing, Fuqiang Ban, Artem Cherkasov

Version 1 posted 19 February 2020

2,710

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7

Citations

Polymer Science

Working Paper

Reorganization of Self-Assembled DNA-Based Polymers Using Orthogonally Addressable Building Blocks

Serena Gentile, Erica Del Grosso, Leonard J. Prins, Francesco Ricci

Version 1 posted 27 January 2021

579

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Theoretical and Computational Chemistry

Working Paper

In silico screening of LRRK2 WDR domain inhibitors using deep docking and free energy simulations

Evgeny Gutkin, Filipp Gusev, Francesco Gentile, Fuqiang Ban, S. Benjamin Koby, Chamali Narangoda, Olexandr Isayev, Artem Cherkasov, Maria G. Kurnikova

Version 2 posted 28 March 2024

680

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Theoretical and Computational Chemistry

Working Paper

Active Learning Guided Hit Optimization for the Leucine-Rich Repeat Kinase 2 WDR Domain Based on In Silico Ligand Binding Affinities

Filipp Gusev, Evgeny Gutkin, Francesco Gentile, Fuqiang Ban, S. Benjamin Koby, Fengling Li, Irene Chau, Suzanne Ackloo, Cheryl H. Arrowsmith, Albina Bolotokova, Pegah Ghiabi, Elisa Gibson, Levon Halabelian, Scott Houliston, Rachel J. Harding, Ashley Hutchinson, Peter Loppnau, Sumera Perveen, Almagul Seitova, Hong Zeng, Matthieu Schapira, Olexandr Isayev, Artem Cherkasov, Maria G. Kurnikova

Version 1 posted 04 October 2024

402

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Nanoscience

Working Paper

Dynamic covalent DNA networks to translate multiple inputs into programmable outputs

Brannetti Simone, Serena Gentile, Del Grosso Erica, Sijbren Otto, Francesco Ricci

Version 1 posted 01 October 2024

233

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Physical Chemistry

Working Paper

Synthetic DNA-based nanoswimmers driven by enzyme catalysis

Tania Patiño, Serena Gentile, Lorena Baranda, Erica Del Grosso, Rafael Mestre, Samuel Sanchez, Francesco Ricci

Version 2 posted 21 July 2023

692

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Theoretical and Computational Chemistry

Working Paper

Pose Ensemble Graph Neural Networks to Improve Docking Performances.

Thanawat Thaingtamtanha, Jordane Preto, Francesco Gentile

Version 1 posted 21 November 2024

0

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8 results in Francesco Gentile in Authors: Francesco Gentile

Autonomous and programmable reorganization of DNA-based polymers using redox chemistry

Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protease by Deep Docking of 1.3 Billion Compounds

Reorganization of Self-Assembled DNA-Based Polymers Using Orthogonally Addressable Building Blocks

In silico screening of LRRK2 WDR domain inhibitors using deep docking and free energy simulations

Active Learning Guided Hit Optimization for the Leucine-Rich Repeat Kinase 2 WDR Domain Based on In Silico Ligand Binding Affinities

Dynamic covalent DNA networks to translate multiple inputs into programmable outputs

Synthetic DNA-based nanoswimmers driven by enzyme catalysis

Pose Ensemble Graph Neural Networks to Improve Docking Performances.

8 results in Authors: Francesco Gentile