Gianpaolo Gobbo

7PUBLICATIONS
13CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsComputational chemistryNeural networksStructure and dynamics of materialsTheory and design of materials
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Publications (7)

|Jan 11, 2025
Design, Structure-Activity Relationships, and Computational Modeling Studies of a Series of α-Helix Biased, Ultra-Short Glucagon-like Peptide-1 Receptor Agonists.

Jonathon R Sawyer, Joseph A Audie, Jon Swanson

|Dec 29, 2023
Development and Comprehensive Benchmark of a High-Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation.

Bai Xue, Qingyi Yang, Qiaochu Zhang

|Oct 25, 2023
Machine Learning Nucleation Collective Variables with Graph Neural Networks.

Florian M Dietrich, Xavier R Advincula, Gianpaolo Gobbo

|Sep 13, 2021
Correction to "A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Prediction: New Opportunities and Challenges for Drug Discovery".

Zhixiong Lin, Junjie Zou, Shuai Liu

|Jun 04, 2021
A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Predictions: New Opportunities and Challenges for Drug Discovery.

Zhixiong Lin, Junjie Zou, Shuai Liu

|Oct 28, 2020
Computational Modeling of the Disulfide Cross-Linking Reaction.

Muhammad A Hagras, Michael A Bellucci, Gianpaolo Gobbo

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Frequent Collaborators

3 joint publications

Mingjun Yang

2 joint publications

Bernhardt L Trout

1 joint publications

Michael A Bellucci

1 joint publications

Gareth A Tribello