Yong CW - Search Results

1

Atomistic Simulation of Water Incorporation and Mobility in Bombyx mori Silk Fibroin.

Haskew MJ, Deacon B, Yong CW, Hardy JG, Murphy ST. Haskew MJ, et al. Among authors: yong cw. ACS Omega. 2021 Dec 15;6(51):35494-35504. doi: 10.1021/acsomega.1c05019. eCollection 2021 Dec 28. ACS Omega. 2021. PMID: 34984281 Free PMC article.

2

Triglycine (GGG) Adopts a Polyproline II (pPII) Conformation in Its Hydrated Crystal Form: Revealing the Role of Water in Peptide Crystallization.

Guo M, Rosbottom I, Zhou L, Yong CW, Zhou L, Yin Q, Todorov IT, Errington E, Heng JYY. Guo M, et al. Among authors: yong cw. J Phys Chem Lett. 2021 Sep 2;12(34):8416-8422. doi: 10.1021/acs.jpclett.1c01622. Epub 2021 Aug 26. J Phys Chem Lett. 2021. PMID: 34436909

3

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.

4

Cellulose Iβ microfibril interaction with pristine graphene in water: Effects of amphiphilicity by molecular simulation.

Kong L, Alqus R, Yong CW, Todorov I, Eichhorn SJ, Bryce RA. Kong L, et al. Among authors: yong cw. J Mol Graph Model. 2023 Jan;118:108336. doi: 10.1016/j.jmgm.2022.108336. Epub 2022 Sep 19. J Mol Graph Model. 2023. PMID: 36182825 Free article.

5

Study of interactions between polymer nanoparticles and cell membranes at atomistic levels.

Yong CW. Yong CW. Philos Trans R Soc Lond B Biol Sci. 2015 Feb 5;370(1661):20140036. doi: 10.1098/rstb.2014.0036. Philos Trans R Soc Lond B Biol Sci. 2015. PMID: 25533094 Free PMC 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

Data on the intermolecular interactions of 1,1,1,2-tetrafluoroethane liquids from molecular dynamics simulations.

Yong CW, Barron VW, Slowey A, Todorov IT, Roberts KJ, Hammond RB. Yong CW, et al. Data Brief. 2023 Aug 11;50:109485. doi: 10.1016/j.dib.2023.109485. eCollection 2023 Oct. Data Brief. 2023. PMID: 37645445 Free PMC article.

8

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

9

Understanding gas capacity, guest selectivity, and diffusion in porous liquids.

Greenaway RL, Holden D, Eden EGB, Stephenson A, Yong CW, Bennison MJ, Hasell T, Briggs ME, James SL, Cooper AI. Greenaway RL, et al. Among authors: yong cw. Chem Sci. 2017 Apr 1;8(4):2640-2651. doi: 10.1039/c6sc05196k. Epub 2017 Jan 31. Chem Sci. 2017. PMID: 28553499 Free PMC article.

10

The structural pathway from its solvated molecular state to the solution crystallisation of the α- and β-polymorphic forms of para amino benzoic acid.

Rosbottom I, Turner TD, Ma CY, Hammond RB, Roberts KJ, Yong CW, Todorov IT. Rosbottom I, et al. Among authors: yong cw. Faraday Discuss. 2022 Jul 14;235(0):467-489. doi: 10.1039/d1fd00112d. Faraday Discuss. 2022. PMID: 35389403 Free article.

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