Robert Abel
Orcid: 0000-0003-2945-3145
According to our database1,
Robert Abel
authored at least 16 papers
between 1988 and 2024.
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Book In proceedings Article PhD thesis Dataset OtherLinks
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Bibliography
2024
AutoDesigner - Core Design, a De Novo Design Algorithm for Chemical Scaffolds: Application to the Design and Synthesis of Novel Selective Wee1 Inhibitors.
J. Chem. Inf. Model., 2024
2023
FEP Protocol Builder: Optimization of Free Energy Perturbation Protocols Using Active Learning.
J. Chem. Inf. Model., September, 2023
Enhancing Hit Discovery in Virtual Screening through Absolute Protein-Ligand Binding Free-Energy Calculations.
J. Chem. Inf. Model., May, 2023
2022
The Impact of Experimental and Calculated Error on the Performance of Affinity Predictions.
J. Chem. Inf. Model., 2022
AutoDesigner, a <i>De Novo</i> Design Algorithm for Rapidly Exploring Large Chemical Space for Lead Optimization: Application to the Design and Synthesis of d-Amino Acid Oxidase Inhibitors.
J. Chem. Inf. Model., 2022
2020
Combining Cloud-Based Free-Energy Calculations, Synthetically Aware Enumerations, and Goal-Directed Generative Machine Learning for Rapid Large-Scale Chemical Exploration and Optimization.
J. Chem. Inf. Model., 2020
J. Chem. Inf. Model., 2020
2019
J. Chem. Inf. Model., 2019
J. Chem. Inf. Model., 2019
Application of Free Energy Perturbation (FEP+) to Understanding Ligand Selectivity: A Case Study to Assess Selectivity Between Pairs of Phosphodiesterases (PDE's).
J. Chem. Inf. Model., 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
Schrödinger-ANI: An Eight-Element Neural Network Interaction Potential with Greatly Expanded Coverage of Druglike Chemical Space.
CoRR, 2019
2015
J. Chem. Inf. Model., 2015
2014
Docking Covalent Inhibitors: A Parameter Free Approach To Pose Prediction and Scoring.
J. Chem. Inf. Model., 2014
2013
J. Comput. Aided Mol. Des., 2013
1988
Four paths to computer animation: entertainment, broadcast, education and science - will their future converge? (panel session).
Proceedings of the 15th Annual Conference on Computer Graphics and Interactive Techniques, 1988