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Page 1
Structural analysis of hERG channel blockers and the implications for drug design.
J Mol Graph Model. 2023 May;120:108405. doi: 10.1016/j.jmgm.2023.108405. Epub 2023 Jan 11.
J Mol Graph Model. 2023.
PMID: 36680816
Protein Arrangement Effects on the Exciton Dynamics in the PE555 Complex.
Chandrasekaran S, Pothula KR, Kleinekathöfer U.
Chandrasekaran S, et al.
J Phys Chem B. 2017 Apr 20;121(15):3228-3236. doi: 10.1021/acs.jpcb.6b05803. Epub 2016 Sep 21.
J Phys Chem B. 2017.
PMID: 27600626
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Influence of Force Fields and Quantum Chemistry Approach on Spectral Densities of BChl a in Solution and in FMO Proteins.
Chandrasekaran S, Aghtar M, Valleau S, Aspuru-Guzik A, Kleinekathöfer U.
Chandrasekaran S, et al.
J Phys Chem B. 2015 Aug 6;119(31):9995-10004. doi: 10.1021/acs.jpcb.5b03654. Epub 2015 Jul 23.
J Phys Chem B. 2015.
PMID: 26156758
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Copper (0) Mediated Single Electron Transfer-Living Radical Polymerization of Methyl Methacrylate: Functionalized Graphene as a Convenient Tool for Radical Initiator.
Murali A, Sampath S, Appukutti Achuthan B, Sakar M, Chandrasekaran S, Suthanthira Vanitha N, Joseph Bensingh R, Abdul Kader M, Jaisankar SN.
Murali A, et al. Among authors: chandrasekaran s.
Polymers (Basel). 2020 Apr 10;12(4):874. doi: 10.3390/polym12040874.
Polymers (Basel). 2020.
PMID: 32290159
Free PMC article.
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Relation between Dephasing Time and Energy Gap Fluctuations in Biomolecular Systems.
Mallus MI, Aghtar M, Chandrasekaran S, Lüdemann G, Elstner M, Kleinekathöfer U.
Mallus MI, et al. Among authors: chandrasekaran s.
J Phys Chem Lett. 2016 Apr 7;7(7):1102-8. doi: 10.1021/acs.jpclett.6b00134. Epub 2016 Mar 10.
J Phys Chem Lett. 2016.
PMID: 26950038
Free article.
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An experimental and steered molecular dynamics simulation approach to histidine assisted liquid-phase exfoliation of graphite into few-layer graphene.
Elumalai S, Bathir Jaber S, Chandrasekaran S, Ogawa M.
Elumalai S, et al. Among authors: chandrasekaran s.
Phys Chem Chem Phys. 2020 May 13;22(18):9910-9914. doi: 10.1039/d0cp01033b.
Phys Chem Chem Phys. 2020.
PMID: 32255462
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