| Critical sequence hotspots for binding of novel coronavirus to angiotensin converter enzyme as evaluated by molecular simulations M Ghorbani, BR Brooks, JB Klauda The Journal of Physical Chemistry B 124 (45), 10034-10047, 2020 | 64 | 2020 |
| Exploring dynamics and network analysis of spike glycoprotein of SARS-COV-2 M Ghorbani, BR Brooks, JB Klauda Biophysical Journal 120 (14), 2902-2913, 2021 | 33 | 2021 |
| GraphVAMPNet, using graph neural networks and variational approach to Markov processes for dynamical modeling of biomolecules M Ghorbani, S Prasad, JB Klauda, BR Brooks The Journal of Chemical Physics 156 (18), 2022 | 25 | 2022 |
| Molecular dynamics simulations of ethanol permeation through single and double-lipid bilayers M Ghorbani, E Wang, A Krämer, JB Klauda The Journal of Chemical Physics 153 (12), 2020 | 21 | 2020 |
| Variational embedding of protein folding simulations using Gaussian mixture variational autoencoders M Ghorbani, S Prasad, JB Klauda, BR Brooks The Journal of Chemical Physics 155 (19), 2021 | 14 | 2021 |
| Irreversible nature of mesoscopic aggregates in lysozyme solutions S Nikfarjam, M Ghorbani, S Adhikari, AJ Karlsson, EV Jouravleva, ... Colloid Journal 81, 546-554, 2019 | 10 | 2019 |
| Deep attention based variational autoencoder for antimicrobial peptide discovery M Ghorbani, S Prasad, BR Brooks, JB Klauda bioRxiv, 2022.07. 08.499340, 2022 | 9 | 2022 |
| A replica exchange umbrella sampling (REUS) approach to predict host–guest binding free energies in SAMPL8 challenge M Ghorbani, PS Hudson, MR Jones, F Aviat, R Meana-Pañeda, ... Journal of computer-aided molecular design 35 (5), 667-677, 2021 | 8 | 2021 |
| Molecular mechanism of EAG1 channel inhibition by imipramine binding to the PAS domain ZJ Wang, M Ghorbani, X Chen, PB Tiwari, JB Klauda, TI Brelidze Journal of Biological Chemistry 299 (12), 2023 | 4 | 2023 |
| Autoregressive fragment-based diffusion for pocket-aware ligand design M Ghorbani, L Gendelev, P Beroza, MJ Keiser arXiv preprint arXiv:2401.05370, 2023 | 2 | 2023 |
| Conformational fluctuations in β2-Microglubulin using Markov state modeling and molecular dynamics M Ghorbani, BR Brooks, JB Klauda The Journal of Physical Chemistry B 127 (31), 6887-6895, 2023 | 2 | 2023 |
| Translocation of CPP-Cargo protein fusions into Candida albicans Cells and designing for enhanced translocation with simulations S Adhikari, M Ghorbani, K Dura, JB Klauda, AJ Karlsson Biophysical Journal 116 (3), 513a, 2019 | 2 | 2019 |
| Mechanism of EAG1 channel inhibition by imipramine binding to the PAS domain ZJ Wang, M Ghorbani, X Chen, P Tiwari, JB Klauda, TI Brelidze Biophysical Journal 123 (3), 252a, 2024 | | 2024 |
| Chlorpromazine inhibits EAG1 channels by altering the coupling between the PAS, CNBH and pore domains M Ghorbani, ZJ Wang, X Chen, PB Tiwari, JB Klauda, TII Brelidze bioRxiv, 2024.02. 23.581826, 2024 | | 2024 |
| Inhibitor mixture for reducing bacteria growth and corrosion on marine steel RA Catubig, A Michalczyk, WC Neil, G McAdam, J Forsyth, M Ghorbani, ... Australian Journal of Chemistry 75 (9), 619-630, 2022 | | 2022 |
| Validating Action-CSA approach for finding multiple protein folding pathways J Min, M Ghorbani, J Lee, BR Brooks Biophysical Journal 121 (3), 187a, 2022 | | 2022 |
| Unraveling the allosteric activation of GPCR using metadynamics and deep learning M Ghorbani, S Prasad, BR Brooks, JB Klauda Biophysical Journal 121 (3), 286a, 2022 | | 2022 |
| An Integrative MD Simulation and Network Analysis Approach to Study Glycosylation of Spike in SARS-CoV-2 M Ghorbani, BR Brooks, JB Klauda Biophysical Journal 120 (3), 16a, 2021 | | 2021 |
| Mechanism of Degradation of Histatin 5 Peptide by Secreted Aspartic Proteases (SAPS) of C. Albicans M Ghorbani, JB Klauda, BR Brooks Biophysical Journal 118 (3), 534a-535a, 2020 | | 2020 |
| Calculating Ethanol Permeability of Membranes through Molecular Dynamic Simulations M Ghorbani, E Wang, JB Klauda Biophysical Journal 116 (3), 217a, 2019 | | 2019 |
Jeffery B. KlaudaProfessor of Chemical Engineering, University of MarylandVerified email at umd.edu