Casalino L - Search Results

1

Development of Site-Specific Mg(2+)-RNA Force Field Parameters: A Dream or Reality? Guidelines from Combined Molecular Dynamics and Quantum Mechanics Simulations.

Casalino L, Palermo G, Abdurakhmonova N, Rothlisberger U, Magistrato A. Casalino L, et al. J Chem Theory Comput. 2017 Jan 10;13(1):340-352. doi: 10.1021/acs.jctc.6b00905. Epub 2016 Dec 21. J Chem Theory Comput. 2017. PMID: 28001405

2

Who Activates the Nucleophile in Ribozyme Catalysis? An Answer from the Splicing Mechanism of Group II Introns.

Casalino L, Palermo G, Rothlisberger U, Magistrato A. Casalino L, et al. J Am Chem Soc. 2016 Aug 24;138(33):10374-7. doi: 10.1021/jacs.6b01363. Epub 2016 Jun 23. J Am Chem Soc. 2016. PMID: 27309711

3

A Dehydrogenase Dual Hydrogen Abstraction Mechanism Promotes Estrogen Biosynthesis: Can We Expand the Functional Annotation of the Aromatase Enzyme?

Spinello A, Pavlin M, Casalino L, Magistrato A. Spinello A, et al. Among authors: casalino l. Chemistry. 2018 Jul 25;24(42):10840-10849. doi: 10.1002/chem.201802025. Epub 2018 Jun 25. Chemistry. 2018. PMID: 29770981

4

All-atom simulations disentangle the functional dynamics underlying gene maturation in the intron lariat spliceosome.

Casalino L, Palermo G, Spinello A, Rothlisberger U, Magistrato A. Casalino L, et al. Proc Natl Acad Sci U S A. 2018 Jun 26;115(26):6584-6589. doi: 10.1073/pnas.1802963115. Epub 2018 Jun 11. Proc Natl Acad Sci U S A. 2018. PMID: 29891649 Free PMC article.

5

Understanding the mechanistic basis of non-coding RNA through molecular dynamics simulations.

Palermo G, Casalino L, Magistrato A, Andrew McCammon J. Palermo G, et al. Among authors: casalino l. J Struct Biol. 2019 Jun 1;206(3):267-279. doi: 10.1016/j.jsb.2019.03.004. Epub 2019 Mar 15. J Struct Biol. 2019. PMID: 30880083 Free PMC article. Review.

6

Can multiscale simulations unravel the function of metallo-enzymes to improve knowledge-based drug discovery?

Sgrignani J, Casalino L, Doro F, Spinello A, Magistrato A. Sgrignani J, et al. Among authors: casalino l. Future Med Chem. 2019 Apr;11(7):771-791. doi: 10.4155/fmc-2018-0495. Epub 2019 Apr 2. Future Med Chem. 2019. PMID: 30938544 Review.

7

Unraveling the Molecular Mechanism of Pre-mRNA Splicing From Multi-Scale Simulations.

Casalino L, Magistrato A. Casalino L, et al. Front Mol Biosci. 2019 Aug 6;6:62. doi: 10.3389/fmolb.2019.00062. eCollection 2019. Front Mol Biosci. 2019. PMID: 31448284 Free PMC article. No abstract available.

8

Decrypting the Information Exchange Pathways across the Spliceosome Machinery.

Saltalamacchia A, Casalino L, Borišek J, Batista VS, Rivalta I, Magistrato A. Saltalamacchia A, et al. Among authors: casalino l. J Am Chem Soc. 2020 May 6;142(18):8403-8411. doi: 10.1021/jacs.0c02036. Epub 2020 Apr 22. J Am Chem Soc. 2020. PMID: 32275149 Free PMC article.

9

Atomic-Level Mechanism of Pre-mRNA Splicing in Health and Disease.

Borišek J, Casalino L, Saltalamacchia A, Mays SG, Malcovati L, Magistrato A. Borišek J, et al. Among authors: casalino l. Acc Chem Res. 2021 Jan 5;54(1):144-154. doi: 10.1021/acs.accounts.0c00578. Epub 2020 Dec 14. Acc Chem Res. 2021. PMID: 33317262

10

Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Ab Initio Molecular Dynamics.

Casalino L, Nierzwicki Ł, Jinek M, Palermo G. Casalino L, et al. ACS Catal. 2020 Nov 20;10(22):13596-13605. doi: 10.1021/acscatal.0c03566. Epub 2020 Nov 10. ACS Catal. 2020. PMID: 33520346 Free PMC article.

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