Andrea Bortolato

According to our database1, Andrea Bortolato authored at least 7 papers between 2007 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

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PhD thesis 
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Links

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Bibliography

2024
Directional Δ<i>G</i> Neural Network (DrΔ<i>G</i>-Net): A Modular Neural Network Approach to Binding Free Energy Prediction.
J. Chem. Inf. Model., 2024

2023
On Ternary Complex Stability in Protein Degradation: In Silico Molecular Glue Binding Affinity Calculations.
J. Chem. Inf. Model., April, 2023

2019
Reaction-Based Enumeration, Active Learning, and Free Energy Calculations To Rapidly Explore Synthetically Tractable Chemical Space and Optimize Potency of Cyclin-Dependent Kinase 2 Inhibitors.
J. Chem. Inf. Model., 2019

2016
GPCR-Bench: A Benchmarking Set and Practitioners' Guide for G Protein-Coupled Receptor Docking.
J. Chem. Inf. Model., 2016

2015
Decoding the Role of Water Dynamics in Ligand-Protein Unbinding: CRF<sub>1</sub>R as a Test Case.
J. Chem. Inf. Model., 2015

2013
Water Network Perturbation in Ligand Binding: Adenosine A<sub>2A</sub> Antagonists as a Case Study.
J. Chem. Inf. Model., 2013

2007
In Silico Binding Free Energy Predictability by Using the Linear Interaction Energy (LIE) Method: Bromobenzimidazole CK2 Inhibitors as a Case Study.
J. Chem. Inf. Model., 2007


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