Yong CW - Search Results

1

Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.

Horrell S, Kekilli D, Sen K, Owen RL, Dworkowski FSN, Antonyuk SV, Keal TW, Yong CW, Eady RR, Hasnain SS, Strange RW, Hough MA. Horrell S, et al. Among authors: yong cw. IUCrJ. 2018 Mar 16;5(Pt 3):283-292. doi: 10.1107/S205225251800386X. eCollection 2018 May 1. IUCrJ. 2018. PMID: 29755744 Free PMC article.

2

Molecular dynamics using atomic-resolution structure reveal structural fluctuations that may lead to polymerization of human Cu-Zn superoxide dismutase.

Strange RW, Yong CW, Smith W, Hasnain SS. Strange RW, et al. Among authors: yong cw. Proc Natl Acad Sci U S A. 2007 Jun 12;104(24):10040-4. doi: 10.1073/pnas.0703857104. Epub 2007 Jun 4. Proc Natl Acad Sci U S A. 2007. PMID: 17548825 Free PMC article.

3

Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase.

Sen K, Horrell S, Kekilli D, Yong CW, Keal TW, Atakisi H, Moreau DW, Thorne RE, Hough MA, Strange RW. Sen K, et al. Among authors: yong cw. IUCrJ. 2017 Jun 16;4(Pt 4):495-505. doi: 10.1107/S2052252517007527. eCollection 2017 Jul 1. IUCrJ. 2017. PMID: 28875036 Free PMC article.

4

A QM/MM Study of Nitrite Binding Modes in a Three-Domain Heme-Cu Nitrite Reductase.

Sen K, Hough MA, Strange RW, Yong CW, Keal TW. Sen K, et al. Among authors: yong cw. Molecules. 2018 Nov 16;23(11):2997. doi: 10.3390/molecules23112997. Molecules. 2018. PMID: 30453538 Free PMC article.

5

QM/MM Simulations of Protein Crystal Reactivity Guided by MSOX Crystallography: A Copper Nitrite Reductase Case Study.

Sen K, Hough MA, Strange RW, Yong C, Keal TW. Sen K, et al. J Phys Chem B. 2021 Aug 19;125(32):9102-9114. doi: 10.1021/acs.jpcb.1c03661. Epub 2021 Aug 6. J Phys Chem B. 2021. PMID: 34357776 Free article.

6

Multiscale QM/MM modelling of catalytic systems with ChemShell.

Lu Y, Sen K, Yong C, Gunn DSD, Purton JA, Guan J, Desmoutier A, Abdul Nasir J, Zhang X, Zhu L, Hou Q, Jackson-Masters J, Watts S, Hanson R, Thomas HN, Jayawardena O, Logsdail AJ, Woodley SM, Senn HM, Sherwood P, Catlow CRA, Sokol AA, Keal TW. Lu Y, et al. Phys Chem Chem Phys. 2023 Aug 23;25(33):21816-21835. doi: 10.1039/d3cp00648d. Phys Chem Chem Phys. 2023. PMID: 37097706 Review.

7

Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems.

Guan J, Lu Y, Sen K, Abdul Nasir J, Desmoutier AW, Hou Q, Zhang X, Logsdail AJ, Dutta G, Beale AM, Strange RW, Yong C, Sherwood P, Senn HM, Catlow CRA, Keal TW, Sokol AA. Guan J, et al. Philos Trans A Math Phys Eng Sci. 2023 Jul 10;381(2250):20220234. doi: 10.1098/rsta.2022.0234. Epub 2023 May 22. Philos Trans A Math Phys Eng Sci. 2023. PMID: 37211033 Free PMC article.

8

Atomistic studies of surface adhesions using molecular-dynamics simulations.

Yong CW, Kendall K, Smith W. Yong CW, et al. Philos Trans A Math Phys Eng Sci. 2004 Sep 15;362(1822):1915-29. doi: 10.1098/rsta.2004.1423. Philos Trans A Math Phys Eng Sci. 2004. PMID: 15306422

9

Structural behaviour of 2-hydroxypropyl-beta-cyclodextrin in water: molecular dynamics simulation studies.

Yong CW, Washington C, Smith W. Yong CW, et al. Pharm Res. 2008 May;25(5):1092-9. doi: 10.1007/s11095-007-9506-y. Epub 2007 Dec 28. Pharm Res. 2008. PMID: 18161014

10

DL_ANALYSER Notation for Atomic Interactions (DANAI): A Natural Annotation System for Molecular Interactions, Using Ethanoic Acid Liquid as a Test Case.

Yong CW, Todorov IT. Yong CW, et al. Molecules. 2017 Dec 24;23(1):36. doi: 10.3390/molecules23010036. Molecules. 2017. PMID: 29295538 Free PMC article.

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