Andrea Bortolato

Publication Activity (10 Years)

Years Active: 2007-2024
Publications (10 Years): 4

Top Topics

Energy Minimization

Number Of Test Cases

Modular Neural Network

Top Venues

J. Chem. Inf. Model.

Publications

Derek P. Metcalf, Zachary L. Glick, Andrea Bortolato, Andy Jiang, Daniel L. Cheney, C. David Sherrill
-Net): A Modular Neural Network Approach to Binding Free Energy Prediction. J. Chem. Inf. Model. 64 (6) (2024)
Dahlia R. Weiss, Andrea Bortolato, Yongnian Sun, Xianmei Cai, Chon Lai, Sixuan Guo, Lihong Shi, Veerabahu Shanmugasundaram
On Ternary Complex Stability in Protein Degradation: In Silico Molecular Glue Binding Affinity Calculations. J. Chem. Inf. Model. 63 (8) (2023)
Kyle D. Konze, Pieter H. Bos, Markus K. Dahlgren, Karl Leswing, Ivan Tubert-Brohman, Andrea Bortolato, Braxton Robbason, Robert Abel, Sathesh Bhat
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. 59 (9) (2019)
Dahlia R. Weiss, Andrea Bortolato, Benjamin G. Tehan, Jonathan S. Mason
GPCR-Bench: A Benchmarking Set and Practitioners' Guide for G Protein-Coupled Receptor Docking. J. Chem. Inf. Model. 56 (4) (2016)
Andrea Bortolato, Francesca Deflorian, Dahlia R. Weiss, Jonathan S. Mason
R as a Test Case. J. Chem. Inf. Model. 55 (9) (2015)
Andrea Bortolato, Benjamin G. Tehan, Michael S. Bodnarchuk, Jonathan W. Essex, Jonathan S. Mason
Antagonists as a Case Study. J. Chem. Inf. Model. 53 (7) (2013)
Andrea Bortolato, Stefano Moro
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. 47 (2) (2007)