| A cross-study analysis of drug response prediction in cancer cell lines F Xia, J Allen, P Balaprakash, T Brettin, C Garcia-Cardona, A Clyde, ... Briefings in Bioinformatics 23 (1), bbab356, 2022 | 48 | 2022 |
| Predicting small molecule transfer free energies by combining molecular dynamics simulations and deep learning WFD Bennett, S He, CL Bilodeau, D Jones, D Sun, H Kim, JE Allen, ... Journal of Chemical Information and Modeling 60 (11), 5375-5381, 2020 | 44 | 2020 |
| Discovery of small-molecule inhibitors of SARS-CoV-2 proteins using a computational and experimental pipeline EY Lau, OA Negrete, WFD Bennett, BJ Bennion, M Borucki, F Bourguet, ... Frontiers in Molecular Biosciences 8, 678701, 2021 | 22 | 2021 |
| Atomistic characterization of gramicidin channel formation D Sun, S He, WFD Bennett, CL Bilodeau, OS Andersen, FC Lightstone, ... Journal of chemical theory and computation 17 (1), 7-12, 2020 | 14 | 2020 |
| Point-based rendering of forest LiDAR LC Simons, S He, P Tittmann, N Amenta | 13 | 2014 |
| High-throughput virtual screening of small molecule inhibitors for sars-cov-2 protein targets with deep fusion models GA Stevenson, D Jones, H Kim, WFD Bennett, BJ Bennion, M Borucki, ... Proceedings of the International Conference for High Performance Computing …, 2021 | 12 | 2021 |
| Assessing the Perturbing Effects of Drugs on Lipid Bilayers Using Gramicidin Channel-Based In Silico and In Vitro Assays D Sun, TA Peyear, WFD Bennett, M Holcomb, S He, F Zhu, FC Lightstone, ... Journal of medicinal chemistry 63 (20), 11809-11818, 2020 | 11 | 2020 |
| Texture mapping 3d planar models of indoor environments with noisy camera poses P Cheng, M Anderson, S He, A Zakhor SPIE Electronic Imaging Conference, Computational Imaging XII, 2014 | 10 | 2014 |
| Texture mapping 3D models of indoor environments with noisy camera poses P Cheng, M Anderson, S He, A Zakhor Computational Imaging XII 9020, 216-230, 2014 | 4 | 2014 |
| Analysis of airborne laser scanning data with regional shape descriptors Z Shah, S He, P Tittmann, N Amenta 13th International SilviLaser Conference on LiDAR Applications for Assessing …, 2013 | 3 | 2013 |
| Edge length interpolation C Rojas, A Tsui, S He, L Simons, S Li, N Amenta ACM Symposium on Solid and Physical Modeling, 2014 | 2 | 2014 |
| High-Throughput Virtual Screening of Small Molecule Inhibitors for SARS-CoV-2 Protein Targets with Deep Fusion Models (preprint) GA Stevenson, D Jones, H Kim, WFD Bennett, BJ Bennion, M Borucki, ... | 1 | 2021 |
| Scaling Deep Learning for Cancer Drug Discovery on HPC Systems SA Jacobs, N Dryden, T Moon, B Van Essen, S He, J Allen Lawrence Livermore National Lab.(LLNL), Livermore, CA (United States), 2018 | 1 | 2018 |
| ezAlign WF Bennett, AV Bernardi, D Sun, S He Lawrence Livermore National Lab.(LLNL), Livermore, CA (United States), 2022 | | 2022 |
| Model Choice Metrics to Optimize Profile-QSAR Performance S He, S Kim, KS McLoughlin, H Ranganathan, D Shi, JE Allen bioRxiv, 2022.08. 22.504151, 2022 | | 2022 |
| Molecular Process of Gramicidin a Dimerization Determined with Milliseconds Atomistic Simulations and Machine Learning D Sun, S He, WFD Bennett, FC Lightstone, HI Ingólfsson Biophysical Journal 118 (3), 555a, 2020 | | 2020 |
| 3D Convolutional Neural Network for Predicting Free Energies of Partitioning S He, H Ingolfsson, D Sun, WFD Bennett, J Allen, FC Lightstone, ... Biophysical Journal 118 (3), 461a-462a, 2020 | | 2020 |
| CAFCW109 Semi-Supervised Method for Countering Batch Effect S He | | 2019 |
| RNA-seq latent featurizer using center loss cost function S He, JE Allen, YJ Fan Lawrence Livermore National Lab.(LLNL), Livermore, CA (United States), 2019 | | 2019 |
| Interfacial and Hydrophobicity Scales for Small Drug-Like Molecules from Atomistic Free Energy Calculations WFD Bennett, S He, H Ingolfsson Biophysical Journal 116 (3), 510a, 2019 | | 2019 |
