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Gian Marco Ghiandoni

Showing results (1-10 of 11) with videos related to

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Scientific Reports|March 14, 2023
Fast calculation of hydrogen-bond strengths and free energy of hydration of small moleculesGian Marco Ghiandoni, Eike Caldeweyher
Journal of Chemical Information and Modeling|December 27, 2022
pIChemiSt ─ Free Tool for the Calculation of Isoelectric Points of Modified PeptidesAndrey I Frolov, Sunay V Chankeshwara, Zeyed Abdulkarim, et al.
ACS Omega|November 24, 2025
Prediction of Permeability and Efflux Using Multitask LearningPhilip Ivers Ohlsson, Gian Marco Ghiandoni, Susanne Winiwarter, et al.
Drug Discovery Today|March 9, 2024
Augmenting DMTA using predictive AI modelling at AstraZenecaGian Marco Ghiandoni, Emma Evertsson, David J Riley, et al.
Journal of Chemical Information and Modeling|December 30, 2025
Peptide-Tools-Web Server for Calculating Physicochemical Properties of PeptidesAndrey I Frolov, Justin Morley, Ana Gomes Dos Santos, et al.
Molecular Informatics|November 9, 2021
RENATE: A Pseudo-retrosynthetic Tool for Synthetically Accessible de novo DesignGian Marco Ghiandoni, Michael J Bodkin, Beining Chen, et al.
Journal of Chemical Information and Modeling|September 19, 2019
Development and Application of a Data-Driven Reaction Classification Model: Comparison of an Electronic Lab Notebook and Medicinal Chemistry LiteratureGian Marco Ghiandoni, Michael J Bodkin, Beining Chen, et al.
Journal of Computer-Aided Molecular Design|March 1, 2020
Enhancing reaction-based de novo design using a multi-label reaction class recommenderGian Marco Ghiandoni, Michael J Bodkin, Beining Chen, et al.
Drug Discovery Today|January 18, 2026
Democratising real-world drug discovery through agentic AIJiazhen He, Helen Lai, Lakshidaa Saigiridharan, et al.
Molecular Informatics|January 23, 2024
Synthetically accessible de novo design using reaction vectors: Application to PARP1 inhibitorsGian Marco Ghiandoni, Stuart R Flanagan, Michael J Bodkin, et al.
Pageof 2

Showing results (1-10 of 11) with videos related to

Sort By:
Pageof 2
Scientific Reports|March 14, 2023
Fast calculation of hydrogen-bond strengths and free energy of hydration of small moleculesGian Marco Ghiandoni, Eike Caldeweyher
Journal of Chemical Information and Modeling|December 27, 2022
pIChemiSt ─ Free Tool for the Calculation of Isoelectric Points of Modified PeptidesAndrey I Frolov, Sunay V Chankeshwara, Zeyed Abdulkarim, et al.
ACS Omega|November 24, 2025
Prediction of Permeability and Efflux Using Multitask LearningPhilip Ivers Ohlsson, Gian Marco Ghiandoni, Susanne Winiwarter, et al.
Drug Discovery Today|March 9, 2024
Augmenting DMTA using predictive AI modelling at AstraZenecaGian Marco Ghiandoni, Emma Evertsson, David J Riley, et al.
Journal of Chemical Information and Modeling|December 30, 2025
Peptide-Tools-Web Server for Calculating Physicochemical Properties of PeptidesAndrey I Frolov, Justin Morley, Ana Gomes Dos Santos, et al.
Molecular Informatics|November 9, 2021
RENATE: A Pseudo-retrosynthetic Tool for Synthetically Accessible de novo DesignGian Marco Ghiandoni, Michael J Bodkin, Beining Chen, et al.
Journal of Chemical Information and Modeling|September 19, 2019
Development and Application of a Data-Driven Reaction Classification Model: Comparison of an Electronic Lab Notebook and Medicinal Chemistry LiteratureGian Marco Ghiandoni, Michael J Bodkin, Beining Chen, et al.
Journal of Computer-Aided Molecular Design|March 1, 2020
Enhancing reaction-based de novo design using a multi-label reaction class recommenderGian Marco Ghiandoni, Michael J Bodkin, Beining Chen, et al.
Drug Discovery Today|January 18, 2026
Democratising real-world drug discovery through agentic AIJiazhen He, Helen Lai, Lakshidaa Saigiridharan, et al.
Molecular Informatics|January 23, 2024
Synthetically accessible de novo design using reaction vectors: Application to PARP1 inhibitorsGian Marco Ghiandoni, Stuart R Flanagan, Michael J Bodkin, et al.
Pageof 2