| UMAP as a dimensionality reduction tool for molecular dynamics simulations of biomacromolecules: A comparison study F Trozzi, X Wang, P Tao The Journal of Physical Chemistry B 125 (19), 5022-5034, 2021 | 51 | 2021 |
| Predicting potential SARS-COV-2 drugs—In depth drug database screening using deep neural network framework SSnet, classical virtual screening and docking N Karki, N Verma, F Trozzi, P Tao, E Kraka, B Zoltowski International Journal of Molecular Sciences 22 (4), 1573, 2021 | 41 | 2021 |
| Ssnet: A deep learning approach for protein-ligand interaction prediction N Verma, X Qu, F Trozzi, M Elsaied, N Karki, Y Tao, B Zoltowski, ... International journal of molecular sciences 22 (3), 1392, 2021 | 34 | 2021 |
| Explore protein conformational space with variational autoencoder H Tian, X Jiang, F Trozzi, S Xiao, EC Larson, P Tao Frontiers in molecular biosciences 8, 781635, 2021 | 28 | 2021 |
| Deciphering the Allosteric Process of the Phaeodactylum tricornutum Aureochrome 1a LOV Domain H Tian, F Trozzi, BD Zoltowski, P Tao The Journal of Physical Chemistry B 124 (41), 8960-8972, 2020 | 24 | 2020 |
| Engineering the Fullerene‐protein Interface by Computational Design: The Sum is More than its Parts F Trozzi, TD Marforio, A Bottoni, F Zerbetto, M Calvaresi Israel Journal of Chemistry 57 (6), 547-552, 2017 | 14 | 2017 |
| Dynamics of hydrogen bonds in the secondary structures of allosteric protein Avena Sativa phototropin 1 MT Ibrahim, F Trozzi, P Tao Computational and structural biotechnology journal 20, 50-64, 2022 | 12 | 2022 |
| Mechanistic insights into enzyme catalysis from explaining machine-learned quantum mechanical and molecular mechanical minimum energy pathways Z Song, F Trozzi, H Tian, C Yin, P Tao ACS Physical Chemistry Au 2 (4), 316-330, 2022 | 8 | 2022 |
| QM/MM modeling of class A β-lactamases reveals distinct acylation pathways for ampicillin and cefalexin Z Song, F Trozzi, T Palzkill, P Tao Organic & biomolecular chemistry 19 (42), 9182-9189, 2021 | 8 | 2021 |
| Investigating the conformational landscape of AlphaFold2-predicted protein kinase structures C Al-Masri, F Trozzi, SH Lin, O Tran, N Sahni, M Patek, A Cichonska, ... Bioinformatics Advances 3 (1), vbad129, 2023 | 6 | 2023 |
| Dimeric allostery mechanism of the plant circadian clock photoreceptor ZEITLUPE F Trozzi, F Wang, G Verkhivker, BD Zoltowski, P Tao PLOS Computational Biology 17 (7), e1009168, 2021 | 5 | 2021 |
| SSnet-Secondary Structure based End-to-End Learning model for Protein-Ligand Interaction Prediction N Verma, X Qu, F Trozzi, M Elsaied, Y Tao, EC Larson, E Kraka bioRxiv, 2020 | 4 | 2020 |
| Allosteric control of ACE2 peptidase domain dynamics F Trozzi, N Karki, Z Song, N Verma, E Kraka, BD Zoltowski, P Tao Organic & biomolecular chemistry 20 (17), 3605-3618, 2022 | 3 | 2022 |
| Organic & Biomolecular Chemistry R Hesse, A Jäger, AW Schmidt, HJ Knölker Org. Biomol. Chem 12, 3866-3876, 2014 | 1 | 2014 |
| Exploration of protein conformational space with variational autoencoder H Tian, X Jiang, F Trozzi, S Xiao, E Larson, P Tao American Chemical Society SciMeetings 3 (1), 2022 | | 2022 |
| Mechanistic Insights into Protein Allostery in LOV Domains and ACE2 PD via Computational Approaches F Trozzi | | 2022 |
| Supporting Information Dynamics of hydrogen bonds in the secondary structures of allosteric protein Avena Sativa phototropin MT Ibrahim, F Trozzi, P Tao | | |
