Pandini A - Search Results

1

Dynamic Profiling of β-Coronavirus 3CL M^pro Protease Ligand-Binding Sites.

Cho E, Rosa M, Anjum R, Mehmood S, Soban M, Mujtaba M, Bux K, Moin ST, Tanweer M, Dantu S, Pandini A, Yin J, Ma H, Ramanathan A, Islam B, Mey ASJS, Bhowmik D, Haider S. Cho E, et al. Among authors: pandini a. J Chem Inf Model. 2021 Jun 28;61(6):3058-3073. doi: 10.1021/acs.jcim.1c00449. Epub 2021 Jun 14. J Chem Inf Model. 2021. PMID: 34124899

2

Structure-based enzyme engineering improves donor-substrate recognition of Arabidopsis thaliana glycosyltransferases.

Akere A, Chen SH, Liu X, Chen Y, Dantu SC, Pandini A, Bhowmik D, Haider S. Akere A, et al. Among authors: pandini a. Biochem J. 2020 Aug 14;477(15):2791-2805. doi: 10.1042/BCJ20200477. Biochem J. 2020. PMID: 32657326 Free PMC article.

3

Structure, Dynamics and Cellular Insight Into Novel Substrates of the Legionella pneumophila Type II Secretion System.

Portlock TJ, Tyson JY, Dantu SC, Rehman S, White RC, McIntire IE, Sewell L, Richardson K, Shaw R, Pandini A, Cianciotto NP, Garnett JA. Portlock TJ, et al. Among authors: pandini a. Front Mol Biosci. 2020 Jun 11;7:112. doi: 10.3389/fmolb.2020.00112. eCollection 2020. Front Mol Biosci. 2020. PMID: 32656228 Free PMC article.

4

PathDetect-SOM: A Neural Network Approach for the Identification of Pathways in Ligand Binding Simulations.

Motta S, Callea L, Bonati L, Pandini A. Motta S, et al. Among authors: pandini a. J Chem Theory Comput. 2022 Mar 8;18(3):1957-1968. doi: 10.1021/acs.jctc.1c01163. Epub 2022 Feb 25. J Chem Theory Comput. 2022. PMID: 35213804 Free PMC article.

5

Reconstruction of ARNT PAS-B Unfolding Pathways by Steered Molecular Dynamics and Artificial Neural Networks.

Motta S, Pandini A, Fornili A, Bonati L. Motta S, et al. Among authors: pandini a. J Chem Theory Comput. 2021 Apr 13;17(4):2080-2089. doi: 10.1021/acs.jctc.0c01308. Epub 2021 Mar 29. J Chem Theory Comput. 2021. PMID: 33780250 Free PMC article.

6

The Gearbox of the Bacterial Flagellar Motor Switch.

Pandini A, Morcos F, Khan S. Pandini A, et al. Structure. 2016 Jul 6;24(7):1209-20. doi: 10.1016/j.str.2016.05.012. Epub 2016 Jun 23. Structure. 2016. PMID: 27345932 Free PMC article.

7

Functional annotation of the mesophilic-like character of mutants in a cold-adapted enzyme by self-organising map analysis of their molecular dynamics.

Fraccalvieri D, Tiberti M, Pandini A, Bonati L, Papaleo E. Fraccalvieri D, et al. Among authors: pandini a. Mol Biosyst. 2012 Oct;8(10):2680-91. doi: 10.1039/c2mb25192b. Mol Biosyst. 2012. PMID: 22802143

8

Artificial neural networks for efficient clustering of conformational ensembles and their potential for medicinal chemistry.

Pandini A, Fraccalvieri D, Bonati L. Pandini A, et al. Curr Top Med Chem. 2013;13(5):642-51. doi: 10.2174/1568026611313050007. Curr Top Med Chem. 2013. PMID: 23548025 Review.

9

Ligand-induced perturbation of the HIF-2α:ARNT dimer dynamics.

Motta S, Minici C, Corrada D, Bonati L, Pandini A. Motta S, et al. Among authors: pandini a. PLoS Comput Biol. 2018 Feb 28;14(2):e1006021. doi: 10.1371/journal.pcbi.1006021. eCollection 2018 Feb. PLoS Comput Biol. 2018. PMID: 29489822 Free PMC article.

10

Recognizing the Binding Pattern and Dissociation Pathways of the p300 Taz2-p53 TAD2 Complex.

Li T, Motta S, Stevens AO, Song S, Hendrix E, Pandini A, He Y. Li T, et al. Among authors: pandini a. JACS Au. 2022 Aug 3;2(8):1935-1945. doi: 10.1021/jacsau.2c00358. eCollection 2022 Aug 22. JACS Au. 2022. PMID: 36032526 Free PMC article.

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