| Structure-based drug design by denoising voxel grids PO Pinheiro, A Jamasb, O Mahmood, V Sresht, S Saremi arXiv preprint arXiv:2405.03961, 2024 | | 2024 |
| 3D molecule generation by denoising voxel grids PO O Pinheiro, J Rackers, J Kleinhenz, M Maser, O Mahmood, A Watkins, ... Advances in Neural Information Processing Systems 36, 2024 | 6 | 2024 |
| Uncertainty-aware pseudo-labeling for quantum calculations K Huang, V Sresht, B Rai, M Bordyuh Uncertainty in Artificial Intelligence, 853-862, 2022 | 2 | 2022 |
| Torsionnet: A deep neural network to rapidly predict small-molecule torsional energy profiles with the accuracy of quantum mechanics BK Rai, V Sresht, Q Yang, R Unwalla, M Tu, AM Mathiowetz, GA Bakken Journal of Chemical Information and Modeling 62 (4), 785-800, 2022 | 29 | 2022 |
| Compositions and methods for forming emulsions TM Swager, ED Blankschtein, LD Zarzar, V Sresht, E Sletten, JA Kalow US Patent 11,229,892, 2022 | 1 | 2022 |
| Coupling Mixed Mode Chromatography/ESI Negative MS Detection with Message-Passing Neural Network Modeling for Enhanced Metabolome Coverage and Structural Identification G Xing, V Sresht, Z Sun, Y Shi, MF Clasquin Metabolites 11 (11), 772, 2021 | 3 | 2021 |
| Adaptive Pseudo-labeling for Quantum Calculations K Huang, V Sresht, B Rai, M Bordyuh | | 2021 |
| Actuation of Janus emulsion droplets via optothermally induced marangoni forces S Nagelberg, JF Totz, M Mittasch, V Sresht, L Zeininger, TM Swager, ... Physical review letters 127 (14), 144503, 2021 | 21 | 2021 |
| Are 2D fingerprints still valuable for drug discovery? K Gao, DD Nguyen, V Sresht, AM Mathiowetz, M Tu, GW Wei Physical chemistry chemical physics 22 (16), 8373-8390, 2020 | 95 | 2020 |
| Black box recursive translations for molecular optimization F Damani, V Sresht, S Ra arXiv preprint arXiv:1912.10156, 2019 | 6 | 2019 |
| Comprehensive assessment of torsional strain in crystal structures of small molecules and protein–ligand complexes using ab initio calculations BK Rai, V Sresht, Q Yang, R Unwalla, M Tu, AM Mathiowetz, GA Bakken Journal of chemical information and modeling 59 (10), 4195-4208, 2019 | 30 | 2019 |
| Molecular transformer unifies reaction prediction and retrosynthesis across pharma chemical space Q Yang, V Sresht, P Bolgar, X Hou, JL Klug-McLeod, CR Butler Chemical communications 55 (81), 12152-12155, 2019 | 108 | 2019 |
| Development of Force Fields to Model Upcoming 2D Materials in Mechanical and Interfacial Applications AG Rajan, V Sresht, AAH Pádua, M Strano, D Blankschtein 2018 AIChE Annual Meeting, 2018 | | 2018 |
| Leveraging generative models for the directed expansion of compound libraries V Sresht, S Ra, B Rai, B Lefker, A Mathiowetz ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| Compositions and methods for arranging colloid phases TM Swager, ED Blankschtein, LD Zarzar, V Sresht, E Sletten, JA Kalow US Patent 10,005,058, 2018 | 7 | 2018 |
| Reconfigurable and dynamically tunable droplet-based compound micro-lenses S Nagelberg, LD Zarzar, K Subramanian, V Sresht, D Blankschtein, ... 3D Image Acquisition and Display: Technology, Perception and Applications …, 2018 | 1 | 2018 |
| Leveraging cloud computing for large-scale QM calculations: Application to virtual screening and structure-based design B Rai, V Sresht, Q Yang, R Unwalla, M Tu, A Mathiowetz, G Bakken ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
| Predicting surface tensions of surfactant solutions from statistical mechanics HJ Cho, V Sresht, EN Wang Langmuir 34 (6), 2386-2395, 2018 | 15 | 2018 |
| Combined molecular dynamics simulation–molecular-thermodynamic theory framework for predicting surface tensions V Sresht, EP Lewandowski, D Blankschtein, A Jusufi Langmuir 33 (33), 8319-8329, 2017 | 44 | 2017 |
| Emulsion-based, stimuli-responsive compound micro-lenses S Nagelberg, L Zarzar, N Nicolas, K Subramanian, J Kalow, V Sresht, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017 | | 2017 |
Daniel BlankschteinProfessor of Chemical Engineering, MIT在 mit.edu 的电子邮件经过验证
