| Real-time observation of ligand-induced allosteric transitions in a PDZ domain O Bozovic, C Zanobini, A Gulzar, B Jankovic, D Buhrke, M Post, S Wolf, ... Proceedings of the National Academy of Sciences 117 (42), 26031-26039, 2020 | 59 | 2020 |
| Photocontrolling protein–peptide interactions: From minimal perturbation to complete unbinding B Jankovic, A Gulzar, C Zanobini, O Bozovic, S Wolf, G Stock, P Hamm Journal of the American Chemical Society 141 (27), 10702-10710, 2019 | 43 | 2019 |
| Through bonds or contacts? Mapping protein vibrational energy transfer using non-canonical amino acids E Deniz, L Valiño-Borau, JG Löffler, KB Eberl, A Gulzar, S Wolf, PM Durkin, ... Nature Communications 12 (1), 3284, 2021 | 37 | 2021 |
| Therapeutic potential of C2N as targeted drug delivery system for fluorouracil and nitrosourea to treat cancer: a theoretical study F Ahsan, M Yar, A Gulzar, K Ayub Journal of Nanostructure in Chemistry 13 (1), 89-102, 2023 | 31 | 2023 |
| Adsorption and sensor applications of C2N surface for G-series and mustard series chemical warfare agents M Yar, F Ahsan, A Gulzar, K Ayub Microporous and Mesoporous Materials 317, 110984, 2021 | 27 | 2021 |
| Azidohomoalanine: A minimally invasive, versatile, and sensitive infrared label in proteins to study ligand binding C Zanobini, O Bozovic, B Jankovic, KL Koziol, PJM Johnson, P Hamm, ... The Journal of Physical Chemistry B 122 (44), 10118-10125, 2018 | 26 | 2018 |
| First principles calculations of the adsorption of fluorouracil and nitrosourea on CTF-0; organic frameworks as drug delivery systems for cancer treatment F Fayyaz, M Yar, A Gulzar, K Ayub Journal of Molecular Liquids 356, 118941, 2022 | 23 | 2022 |
| Master equation model to predict energy transport pathways in proteins L Valiño Borau, A Gulzar, G Stock The Journal of chemical physics 152 (4), 2020 | 21 | 2020 |
| Energy transport pathways in proteins: a non-equilibrium molecular dynamics simulation study A Gulzar, L Valiño Borau, S Buchenberg, S Wolf, G Stock Journal of chemical theory and computation 15 (10), 5750-5757, 2019 | 19 | 2019 |
| 2D-IR spectroscopy of an AHA labeled photoswitchable PDZ2 domain B Stucki-Buchli, PJM Johnson, O Bozovic, C Zanobini, KL Koziol, P Hamm, ... The Journal of Physical Chemistry A 121 (49), 9435-9445, 2017 | 19 | 2017 |
| Molecular dynamics simulation unveils the conformational flexibility of the interdomain linker in the bacterial transcriptional regulator GabR from Bacillus subtilis bound to … T Milano, A Gulzar, D Narzi, L Guidoni, S Pascarella PLoS One 12 (12), e0189270, 2017 | 15 | 2017 |
| Nonequilibrium modeling of the elementary step in PDZ3 allosteric communication AAAI Ali, A Gulzar, S Wolf, G Stock The Journal of Physical Chemistry Letters 13 (42), 9862-9868, 2022 | 6 | 2022 |
| Log-periodic oscillations as real-time signatures of hierarchical dynamics in proteins E Dorbath, A Gulzar, G Stock The Journal of Chemical Physics 160 (7), 2024 | 2 | 2024 |
| Metallofullerenes as Robust Single-Atom Catalysts for Adsorption and Dissociation of Hydrogen Molecules: A Density Functional Study S Sarfaraz, M Yar, A Hussain, A Lakhani, A Gulzar, M Ans, U Rashid, ... ACS omega 8 (39), 36493-36505, 2023 | 1 | 2023 |
| Through Bonds or Contacts? Mapping Protein Vibrational Energy Transfer Using Non-canonical Amino Acids. J Bredenbeck, E Deniz, L Valiño-Borau, J Löffler, K Eberl, A Gulzar, ... | | 2021 |
| Energy transport pathways in proteins: A nonequilibrium molecular dynamics simulation study Supplementary Information A Gulzar, LV Borau, S Buchenberg, S Wolf, G Stock | | |
| Allosteric signal in photoswitchable PDZ3 Domain A Ali, A Gulzar, S Wolf, G Stock | | |
| Supplementary Material: 2D-IR Spectroscopy of an AHA Labelled Photoswitchable PDZ2 Domain B Stucki-Buchli, P Johnson, O Bozovic, C Zanobini, K Koziol, P Hamm, ... | | |