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Tracking the flow of water through photosystem II using molecular dynamics and streamline tracing.
Vassiliev S, Comte P, Mahboob A, Bruce D. Vassiliev S, et al. Biochemistry. 2010 Mar 9;49(9):1873-81. doi: 10.1021/bi901900s. Biochemistry. 2010. PMID: 20121111
Toward understanding molecular mechanisms of light harvesting and charge separation in photosystem II.
Vassiliev S, Bruce D. Vassiliev S, et al. Photosynth Res. 2008 Jul;97(1):75-89. doi: 10.1007/s11120-008-9303-4. Epub 2008 Apr 29. Photosynth Res. 2008. PMID: 18443918 Review.
Structural-functional role of chloride in photosystem II.
Rivalta I, Amin M, Luber S, Vassiliev S, Pokhrel R, Umena Y, Kawakami K, Shen JR, Kamiya N, Bruce D, Brudvig GW, Gunner MR, Batista VS. Rivalta I, et al. Among authors: vassiliev s. Biochemistry. 2011 Jul 26;50(29):6312-5. doi: 10.1021/bi200685w. Epub 2011 Jun 27. Biochemistry. 2011. PMID: 21678923 Free PMC article.
Calculation of chromophore excited state energy shifts in response to molecular dynamics of pigment-protein complexes.
Vassiliev S, Mahboob A, Bruce D. Vassiliev S, et al. Photosynth Res. 2011 Oct;110(1):25-38. doi: 10.1007/s11120-011-9689-2. Epub 2011 Oct 1. Photosynth Res. 2011. PMID: 21964859
Molecular dynamics simulations reveal highly permeable oxygen exit channels shared with water uptake channels in photosystem II.
Vassiliev S, Zaraiskaya T, Bruce D. Vassiliev S, et al. Biochim Biophys Acta. 2013 Oct;1827(10):1148-55. doi: 10.1016/j.bbabio.2013.06.008. Epub 2013 Jun 28. Biochim Biophys Acta. 2013. PMID: 23816955 Free article.
Factors controlling the redox potential of ZnCe6 in an engineered bacterioferritin photochemical 'reaction centre'.
Mahboob A, Vassiliev S, Poddutoori PK, van der Est A, Bruce D. Mahboob A, et al. Among authors: vassiliev s. PLoS One. 2013 Jul 30;8(7):e68421. doi: 10.1371/journal.pone.0068421. Print 2013. PLoS One. 2013. PMID: 23935866 Free PMC article.
Proton-Coupled Electron Transfer During the S-State Transitions of the Oxygen-Evolving Complex of Photosystem II.
Amin M, Vogt L, Szejgis W, Vassiliev S, Brudvig GW, Bruce D, Gunner MR. Amin M, et al. Among authors: vassiliev s. J Phys Chem B. 2015 Jun 18;119(24):7366-77. doi: 10.1021/jp510948e. Epub 2015 Jan 26. J Phys Chem B. 2015. PMID: 25575266
MD Simulations Reveal Complex Water Paths in Squalene-Hopene Cyclase: Tunnel-Obstructing Mutations Increase the Flow of Water in the Active Site.
Gustafsson C, Vassiliev S, Kürten C, Syrén PO, Brinck T. Gustafsson C, et al. Among authors: vassiliev s. ACS Omega. 2017 Nov 30;2(11):8495-8506. doi: 10.1021/acsomega.7b01084. eCollection 2017 Nov 30. ACS Omega. 2017. PMID: 31457386 Free PMC article.
Electrostatic effects on proton coupled electron transfer in oxomanganese complexes inspired by the oxygen-evolving complex of photosystem II.
Amin M, Vogt L, Vassiliev S, Rivalta I, Sultan MM, Bruce D, Brudvig GW, Batista VS, Gunner MR. Amin M, et al. Among authors: vassiliev s. J Phys Chem B. 2013 May 23;117(20):6217-26. doi: 10.1021/jp403321b. Epub 2013 May 15. J Phys Chem B. 2013. PMID: 23570540 Free PMC article.
Ultrafast charge separation and charge stabilization in axially linked 'tetrathiafulvalene-aluminum(III) porphyrin-gold(III) porphyrin' reaction center mimics.
Poddutoori PK, Lim GN, Vassiliev S, D'Souza F. Poddutoori PK, et al. Among authors: vassiliev s. Phys Chem Chem Phys. 2015 Oct 21;17(39):26346-58. doi: 10.1039/c5cp04818d. Epub 2015 Sep 21. Phys Chem Chem Phys. 2015. PMID: 26388225
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