Task-specific scoring functions for predicting ligand binding poses and affinity and for screening enrichment HM Ashtawy, NR Mahapatra Journal of chemical information and modeling 58 (1), 119-133, 2018 | 82 | 2018 |
BgN-Score and BsN-Score: bagging and boosting based ensemble neural networks scoring functions for accurate binding affinity prediction of protein-ligand complexes HM Ashtawy, NR Mahapatra BMC bioinformatics 16, 1-12, 2015 | 69 | 2015 |
Machine-learning scoring functions for identifying native poses of ligands docked to known and novel proteins HM Ashtawy, NR Mahapatra BMC bioinformatics 16, 1-17, 2015 | 60 | 2015 |
A comparative assessment of ranking accuracies of conventional and machine-learning-based scoring functions for protein-ligand binding affinity prediction HM Ashtawy, NR Mahapatra IEEE/ACM Transactions on computational biology and bioinformatics 9 (5 …, 2012 | 60 | 2012 |
A comparative assessment of predictive accuracies of conventional and machine learning scoring functions for protein-ligand binding affinity prediction HM Ashtawy, NR Mahapatra IEEE/ACM transactions on computational biology and bioinformatics 12 (2 …, 2014 | 54 | 2014 |
Boosted neural networks scoring functions for accurate ligand docking and ranking HM Ashtawy, NR Mahapatra Journal of Bioinformatics and Computational Biology 16 (02), 1850004, 2018 | 13 | 2018 |
Molecular docking for drug discovery: Machine-learning approaches for native pose prediction of protein-ligand complexes HM Ashtawy, NR Mahapatra International Meeting on Computational Intelligence Methods for …, 2013 | 13 | 2013 |
A comparative assessment of conventional and machine-learning-based scoring functions in predicting binding affinities of protein-ligand complexes HM Ashtawy, NR Mahapatra 2011 IEEE International Conference on Bioinformatics and Biomedicine, 627-630, 2011 | 11 | 2011 |
Descriptor data bank (DDB): A cloud platform for multiperspective modeling of protein–ligand interactions HM Ashtawy, NR Mahapatra Journal of Chemical Information and Modeling 58 (1), 134-147, 2018 | 8 | 2018 |
Take A Hike H Ashtawy, T Brown, X Wang, Y Zhang A Trek Through the Contiki Operating System, Department of Computer Science …, 0 | 3 | |
Does Accurate Scoring of Ligands against Protein Targets Mean Accurate Ranking? HM Ashtawy, NR Mahapatra International Symposium on Bioinformatics Research and Applications, 298-310, 2013 | 2 | 2013 |
Data-Driven and Task-Specific Scoring Functions for Predicting Ligand Binding Poses and Affinity and for Screening Enrichment HM Ashtawy Michigan State University, 2017 | 1 | 2017 |
Uncertainty quantification for ligand-based drug design A Pedawi, H Ashtawy, B Anderson ACS Spring 2022, 2022 | | 2022 |
Pretraining graph neural networks on ultra large chemical libraries to learn generalizable ADMET predictors H Ashtawy, B Anderson, J Sorenson, I Wallach ACS Fall 2021, 2021 | | 2021 |
2015 Index IEEE/ACM Transactions on Computational Biology and Bioinformatics Vol. 12 JS Aguilar-Ruiz, OY Al-Jarrah, N Almeida, S Aluru, M Alzaabi, CN Arighi, ... IEEE/ACM Transactions on Computational Biology and Bioinformatics 13 (1), 173, 2016 | | 2016 |
Ensemble Neural Networks Scoring Functions for Accurate Binding Affinity Prediction of Protein-Ligand Complexes HM Ashtawy, NR Mahapatra Pattern Recognition in Bioinformatics: 9th IAPR International Conference …, 2014 | | 2014 |
2012 Index IEEE/ACM Transactions on Computational Biology and Bioinformatics Vol. 9 A Abate, L Acharya, M Agathocleous, MO Ahmad, E Aksehirli, S Akshay, ... IEEE/ACM Transactions on Computational Biology and Bioinformatics 10 (1), 245, 2013 | | 2013 |
A Comparative Study of Machine-learning-based Scoring Functions in Predicting Protein-ligand Binding Affinity HMF Ashtawy Michigan State University. Electrical Engineering, 2011 | | 2011 |
2018 Reviewers List à N Abbasi, A Abdi, M Achakzai, S Aeron, H Afifi, S Agarwal, M Ahmed, ... | | |