Robert Abel

According to our database, Robert Abel authored at least 14 papers between 1988 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

FEP Protocol Builder: Optimization of Free Energy Perturbation Protocols Using Active Learning.

Cesar de Oliveira, Karl Leswing, Shulu Feng, René Kanters, Robert Abel, Sathesh Bhat

J. Chem. Inf. Model., September, 2023

2022

The Impact of Experimental and Calculated Error on the Performance of Affinity Predictions.

Gary Tresadern, Kanaka Tatikola, Javier Cabrera, Lingle Wang, Robert Abel, Herman van Vlijmen, Helena Geys

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.

Pieter H. Bos, Evelyne M. Houang, Fabio Ranalli, Abba E. Leffler, Nicholas A. Boyles, Volker A. Eyrich, Yuval Luria, Dana Katz, Haifeng Tang, Robert Abel, Sathesh Bhat

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.

Phani Ghanakota, Pieter H. Bos, Kyle D. Konze, Joshua Staker, Gabriel Marques, Kyle Marshall, Karl Leswing, Robert Abel, Sathesh Bhat

J. Chem. Inf. Model., 2020

Is Structure-Based Drug Design Ready for Selectivity Optimization?

Steven K. Albanese, John D. Chodera, Andrea Volkamer, Simon Keng, Robert Abel, Lingle Wang

J. Chem. Inf. Model., 2020

2019

Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics.

Haoyu S. Yu, Cen Gao, Dmitry Lupyan, Yujie Wu, Takayuki Kimura, Chuanjie Wu, Leif D. Jacobson, Edward Harder, Robert Abel, Lingle Wang

J. Chem. Inf. Model., 2019

Molecular Structure Extraction from Documents Using Deep Learning.

Joshua Staker, Kyle Marshall, Robert Abel, Carolyn McQuaw

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).

Francesca Moraca, Ana Negri, Cesar de Oliveira, Robert Abel

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.

Kyle D. Konze, Pieter H. Bos, Markus K. Dahlgren, Karl Leswing, Ivan Tubert-Brohman, Andrea Bortolato, Braxton Robbason, Robert Abel, Sathesh Bhat

J. Chem. Inf. Model., 2019

Schrödinger-ANI: An Eight-Element Neural Network Interaction Potential with Greatly Expanded Coverage of Druglike Chemical Space.

James M. Stevenson, Leif D. Jacobson, Yutong Zhao, Chuanjie Wu, Jon Maple, Karl Leswing, Edward Harder, Robert Abel

CoRR, 2019

2015

Accurate Binding Free Energy Predictions in Fragment Optimization.

Thomas B. Steinbrecher, Markus K. Dahlgren, Daniel Cappel, Teng Lin, Lingle Wang, Goran Krilov, Robert Abel, Richard A. Friesner, Woody Sherman

J. Chem. Inf. Model., 2015

2014

Docking Covalent Inhibitors: A Parameter Free Approach To Pose Prediction and Scoring.

Kai Zhu, Kenneth W. Borrelli, Jeremy R. Greenwood, Tyler Day, Robert Abel, Ramy Farid, Edward Harder

J. Chem. Inf. Model., 2014

2013

Lead optimization mapper: automating free energy calculations for lead optimization.

Shuai Liu, Yujie Wu, Teng Lin, Robert Abel, Jonathan P. Redmann, Christopher M. Summa, Vivian R. Jaber, Nathan M. Lim, David L. Mobley

J. Comput. Aided Mol. Des., 2013

1988

Four paths to computer animation: entertainment, broadcast, education and science - will their future converge? (panel session).

Robert Abel, Jim Blinn, Carl Rosendahl, Craig Upson

Proceedings of the 15th Annual Conference on Computer Graphics and Interactive Techniques, 1988