Goonetilleke EC - Search Results

1

Markov State Models to Study the Functional Dynamics of Proteins in the Wake of Machine Learning.

Konovalov KA, Unarta IC, Cao S, Goonetilleke EC, Huang X. Konovalov KA, et al. Among authors: goonetilleke ec. JACS Au. 2021 Aug 4;1(9):1330-1341. doi: 10.1021/jacsau.1c00254. eCollection 2021 Sep 27. JACS Au. 2021. PMID: 34604842 Free PMC article. Review.

2

A comprehensive mechanism for 5-carboxylcytosine-induced transcriptional pausing revealed by Markov state models.

Konovalov KA, Wang W, Wang G, Goonetilleke EC, Gao X, Wang D, Huang X. Konovalov KA, et al. Among authors: goonetilleke ec. J Biol Chem. 2021 Jan-Jun;296:100735. doi: 10.1016/j.jbc.2021.100735. Epub 2021 May 13. J Biol Chem. 2021. PMID: 33991521 Free PMC article.

3

Incorporation efficiency and inhibition mechanism of 2'-substituted nucleotide analogs against SARS-CoV-2 RNA-dependent RNA polymerase.

Yuan C, Goonetilleke EC, Unarta IC, Huang X. Yuan C, et al. Among authors: goonetilleke ec. Phys Chem Chem Phys. 2021 Sep 22;23(36):20117-20128. doi: 10.1039/d1cp03049c. Phys Chem Chem Phys. 2021. PMID: 34514487

4

Temperature-dependent kinetic pathways of heterogeneous ice nucleation competing between classical and non-classical nucleation.

Li C, Liu Z, Goonetilleke EC, Huang X. Li C, et al. Among authors: goonetilleke ec. Nat Commun. 2021 Aug 16;12(1):4954. doi: 10.1038/s41467-021-25267-2. Nat Commun. 2021. PMID: 34400646 Free PMC article.

5

Elucidation of the key role of Pt···Pt interactions in the directional self-assembly of platinum(II) complexes.

Zheng X, Chan MH, Chan AK, Cao S, Ng M, Sheong FK, Li C, Goonetilleke EC, Lam WWY, Lau TC, Huang X, Yam VW. Zheng X, et al. Among authors: goonetilleke ec. Proc Natl Acad Sci U S A. 2022 Mar 22;119(12):e2116543119. doi: 10.1073/pnas.2116543119. Epub 2022 Mar 17. Proc Natl Acad Sci U S A. 2022. PMID: 35298336 Free PMC article.

6

Targeting Bacterial RNA Polymerase: Harnessing Simulations and Machine Learning to Design Inhibitors for Drug-Resistant Pathogens.

Goonetilleke EC, Huang X. Goonetilleke EC, et al. Biochemistry. 2025 Mar 18;64(6):1169-1179. doi: 10.1021/acs.biochem.4c00751. Epub 2025 Feb 27. Biochemistry. 2025. PMID: 40014017 Review.

7

Submillisecond Atomistic Molecular Dynamics Simulations Reveal Hydrogen Bond-Driven Diffusion of a Guest Peptide in Protein-RNA Condensate.

Unarta IC, Cao S, Goonetilleke EC, Niu J, Gellman SH, Huang X. Unarta IC, et al. Among authors: goonetilleke ec. J Phys Chem B. 2024 Mar 14;128(10):2347-2359. doi: 10.1021/acs.jpcb.3c08126. Epub 2024 Feb 28. J Phys Chem B. 2024. PMID: 38416758 Free PMC article.

8

Nucleotide addition and cleavage by RNA polymerase II: Coordination of two catalytic reactions using a single active site.

Unarta IC, Goonetilleke EC, Wang D, Huang X. Unarta IC, et al. Among authors: goonetilleke ec. J Biol Chem. 2023 Feb;299(2):102844. doi: 10.1016/j.jbc.2022.102844. Epub 2022 Dec 26. J Biol Chem. 2023. PMID: 36581202 Free PMC article. Review.

9

The Ion-Dipole Correction of the 3DRISM Solvation Model to Accurately Compute Water Distributions around Negatively Charged Biomolecules.

Cao S, Qiu Y, Unarta IC, Goonetilleke EC, Huang X. Cao S, et al. Among authors: goonetilleke ec. J Phys Chem B. 2022 Nov 3;126(43):8632-8645. doi: 10.1021/acs.jpcb.2c04431. Epub 2022 Oct 25. J Phys Chem B. 2022. PMID: 36282904

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