Andrew D Mcnaughton

Andrew D Mcnaughton

Pacific Northwest National Laboratory - Richland / United States
Engineering & Technology / Computer Science
AD Scientific Index ID: 5376008
person_outline Andrew D Mcnaughton's MOST POPULAR ARTICLES
1-) Machine Learning Models for Predicting Molecular UV–Vis Spectra with Quantum Mechanical PropertiesAD McNaughton, RP Joshi, CR Knutson, A Fnu, KJ Luebke, JP Malerich, ...Journal of Chemical Information and Modeling 63 (5), 1462-1471, 2023202023
2-) Quantum mechanical methods predict accurate thermodynamics of biochemical reactionsRP Joshi, A McNaughton, DG Thomas, CS Henry, SR Canon, LA McCue, ...ACS omega 6 (14), 9948-9959, 2021152021
3-) Leveraging Artificial Intelligence to Expedite Antibody Design and Enhance Antibody–Antigen InteractionsDN Kim, AD McNaughton, N KumarBioengineering 11 (2), 185, 202492024
4-) De novo design of protein target specific scaffold-based Inhibitors via Reinforcement LearningAD McNaughton, MS Bontha, CR Knutson, JA Pope, N KumararXiv preprint arXiv:2205.10473, 202292022
5-) Bayesian Inference for Integrating Yarrowia lipolytica Multiomics Datasets with Metabolic ModelingAD McNaughton, EL Bredeweg, J Manzer, J Zucker, N Munoz Munoz, ...ACS Synthetic Biology 10 (11), 2968-2981, 202182021