Zia SR - Search Results

1

Probing Hydration Patterns in Class-A GPCRs via Biased MD: The A_2A Receptor.

Zia SR, Gaspari R, Decherchi S, Rocchia W. Zia SR, et al. J Chem Theory Comput. 2016 Dec 13;12(12):6049-6061. doi: 10.1021/acs.jctc.6b00475. Epub 2016 Nov 10. J Chem Theory Comput. 2016. PMID: 27951680

2

Kinetics of protein-ligand unbinding via smoothed potential molecular dynamics simulations.

Mollica L, Decherchi S, Zia SR, Gaspari R, Cavalli A, Rocchia W. Mollica L, et al. Among authors: zia sr. Sci Rep. 2015 Jun 23;5:11539. doi: 10.1038/srep11539. Sci Rep. 2015. PMID: 26103621 Free PMC article.

3

Tuning Local Hydration Enables a Deeper Understanding of Protein-Ligand Binding: The PP1-Src Kinase Case.

Spitaleri A, Zia SR, Di Micco P, Al-Lazikani B, Soler MA, Rocchia W. Spitaleri A, et al. Among authors: zia sr. J Phys Chem Lett. 2021 Jan 14;12(1):49-58. doi: 10.1021/acs.jpclett.0c03075. Epub 2020 Dec 10. J Phys Chem Lett. 2021. PMID: 33300337 Free PMC article.

4

Corrigendum: Kinetics of protein-ligand unbinding via smoothed potential molecular dynamics simulations.

Mollica L, Decherchi S, Zia SR, Gaspari R, Cavalli A, Rocchia W. Mollica L, et al. Among authors: zia sr. Sci Rep. 2016 May 6;6:25299. doi: 10.1038/srep25299. Sci Rep. 2016. PMID: 27151769 Free PMC article. No abstract available.

5

Chromatin Compaction Multiscale Modeling: A Complex Synergy Between Theory, Simulation, and Experiment.

Bendandi A, Dante S, Zia SR, Diaspro A, Rocchia W. Bendandi A, et al. Among authors: zia sr. Front Mol Biosci. 2020 Feb 25;7:15. doi: 10.3389/fmolb.2020.00015. eCollection 2020. Front Mol Biosci. 2020. PMID: 32158765 Free PMC article. Review.

6

Structure-based 3D-QSAR models and dynamics analysis of novel N-benzyl pyridinone as p38α MAP kinase inhibitors for anticytokine activity.

Ul-Haq Z, Khan W, Zia SR, Iqbal S. Ul-Haq Z, et al. Among authors: zia sr. J Mol Graph Model. 2012 Jun;36:48-61. doi: 10.1016/j.jmgm.2012.02.003. Epub 2012 Mar 6. J Mol Graph Model. 2012. PMID: 22534481

7

In silico based investigation of dynamic variations in neprilysin (NEP and NEP2) proteins for extracting the point of specificity.

Ul-Haq Z, Usmani S, Iqbal S, Zia SR. Ul-Haq Z, et al. Among authors: zia sr. Mol Biosyst. 2016 Mar;12(3):1024-36. doi: 10.1039/c5mb00727e. Mol Biosyst. 2016. PMID: 26846903

8

Role of water in the determination of protonation states of titratable residues.

Zia SR. Zia SR. J Mol Model. 2021 Jan 31;27(2):61. doi: 10.1007/s00894-021-04677-5. J Mol Model. 2021. PMID: 33517493

9

Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis.

Dostál J, Brynda J, Vaňková L, Zia SR, Pichová I, Heidingsfeld O, Lepšík M. Dostál J, et al. Among authors: zia sr. J Enzyme Inhib Med Chem. 2021 Dec;36(1):914-921. doi: 10.1080/14756366.2021.1906664. J Enzyme Inhib Med Chem. 2021. PMID: 33843395 Free PMC article.

10

Engineering the Ligand Specificity of the Human Galectin-1 by Incorporation of Tryptophan Analogues.

Tobola F, Lepšík M, Zia SR, Leffler H, Nilsson UJ, Blixt O, Imberty A, Wiltschi B. Tobola F, et al. Among authors: zia sr. Chembiochem. 2022 Mar 4;23(5):e202100593. doi: 10.1002/cbic.202100593. Epub 2022 Jan 19. Chembiochem. 2022. PMID: 34978765

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