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Journal of Chemical Information and Modeling
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June 11, 2026
AI-Enforced Ultra-Large Virtual Screening Discovers Potent CD28 Binders
Saurabh Upadhyay, Michele Roggia, Shaoren Yuan, et al.
Journal of Chemical Information and Modeling
|
May 19, 2026
PyRMD Studio: A Unified Suite for Next-Generation, AI-Powered Virtual Screening
Benito Natale, Muhammad Waqas, Michele Roggia, et al.
Journal of Chemical Information and Modeling
|
August 8, 2023
Streamlining Large Chemical Library Docking with Artificial Intelligence: the PyRMD2Dock Approach
Michele Roggia, Benito Natale, Giorgio Amendola, et al.
Biorxiv : the Preprint Server for Biology
|
April 3, 2026
AI-Enforced Ultra-Large Virtual Screening Discovers Potent CD28 Binders
Saurabh Upadhyaya, Michele Roggia, Shaoren Yuan, et al.
Protein Science : a Publication of the Protein Society
|
March 8, 2026
StabLyzeGraph: High-throughput screening of combinatorial mutations using graph neural networks
Muhammad Waqas, Benito Natale, Michele Roggia, et al.
International Journal of Pharmaceutics
|
February 25, 2025
Unveiling the role of poly(vinyl alcohol) in the production of mucus-penetrating PLGA nanoparticles
Pouria Savadi, Andrea Casale, Michele Roggia, et al.
Journal of Chemical Information and Modeling
|
September 14, 2024
Discovering Dually Active Anti-cancer Compounds with a Hybrid AI-structure-based Approach
Michele Roggia, Benito Natale, Giorgio Amendola, et al.
European Journal of Medicinal Chemistry
|
May 14, 2023
A cyanine-based NIR fluorescent Vemurafenib analog to probe BRAF<sup>V600E</sup> in cancer cells
Elisabetta Barresi, Caterina Baldanzi, Marta Roncetti, et al.
Nature Communications
|
May 30, 2026
Structure-based screening and a conformational biosensor identify a GPR183 inverse agonist and an activation switch
Louise Andersson, Michele Roggia, Kittikorn Wangriatisak, et al.
ACS Medicinal Chemistry Letters
|
May 15, 2024
Identification of Dual Inhibitors Targeting Main Protease (M<sup>pro</sup>) and Cathepsin L as Potential Anti-SARS-CoV-2 Agents
Santo Previti, Roberta Ettari, Elsa Calcaterra, et al.
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Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
Journal of Chemical Information and Modeling
|
June 11, 2026
AI-Enforced Ultra-Large Virtual Screening Discovers Potent CD28 Binders
Saurabh Upadhyay, Michele Roggia, Shaoren Yuan, et al.
Journal of Chemical Information and Modeling
|
May 19, 2026
PyRMD Studio: A Unified Suite for Next-Generation, AI-Powered Virtual Screening
Benito Natale, Muhammad Waqas, Michele Roggia, et al.
Journal of Chemical Information and Modeling
|
August 8, 2023
Streamlining Large Chemical Library Docking with Artificial Intelligence: the PyRMD2Dock Approach
Michele Roggia, Benito Natale, Giorgio Amendola, et al.
Biorxiv : the Preprint Server for Biology
|
April 3, 2026
AI-Enforced Ultra-Large Virtual Screening Discovers Potent CD28 Binders
Saurabh Upadhyaya, Michele Roggia, Shaoren Yuan, et al.
Protein Science : a Publication of the Protein Society
|
March 8, 2026
StabLyzeGraph: High-throughput screening of combinatorial mutations using graph neural networks
Muhammad Waqas, Benito Natale, Michele Roggia, et al.
International Journal of Pharmaceutics
|
February 25, 2025
Unveiling the role of poly(vinyl alcohol) in the production of mucus-penetrating PLGA nanoparticles
Pouria Savadi, Andrea Casale, Michele Roggia, et al.
Journal of Chemical Information and Modeling
|
September 14, 2024
Discovering Dually Active Anti-cancer Compounds with a Hybrid AI-structure-based Approach
Michele Roggia, Benito Natale, Giorgio Amendola, et al.
European Journal of Medicinal Chemistry
|
May 14, 2023
A cyanine-based NIR fluorescent Vemurafenib analog to probe BRAF<sup>V600E</sup> in cancer cells
Elisabetta Barresi, Caterina Baldanzi, Marta Roncetti, et al.
Nature Communications
|
May 30, 2026
Structure-based screening and a conformational biosensor identify a GPR183 inverse agonist and an activation switch
Louise Andersson, Michele Roggia, Kittikorn Wangriatisak, et al.
ACS Medicinal Chemistry Letters
|
May 15, 2024
Identification of Dual Inhibitors Targeting Main Protease (M<sup>pro</sup>) and Cathepsin L as Potential Anti-SARS-CoV-2 Agents
Santo Previti, Roberta Ettari, Elsa Calcaterra, et al.
Page
of 2