Deciphering the shape selective conformational equilibrium of E - and Z -locked azobenzene-tetraethylammonium ion in regulating photo-switchable K ⁺ -ion channel blocking.

Autor: Cholasseri R; Theoretical and Computational Chemistry Laboratory, Department of Chemistry, National Institute of Technology Calicut, Kozhikode, Kerala, 673 601, India., De S; Department of Chemistry, University of Calicut, Calicut University P. O, Malappuram, Kerala, 673 635, India. susmita@uoc.ac.in.

Publikováno v: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2024 Jul 17; Vol. 26 (28), pp. 19161-19175. Date of Electronic Publication: 2024 Jul 17.

Dual-Site Binding of Quaternary Ammonium Ions as Internal K ⁺ -Ion Channel Blockers: Nonclassical (C-H···O) H Bonding vs Dispersive (C-H···H-C) Interaction.

Autor: Cholasseri R; Theoretical and Computational Chemistry Laboratory, Department of Chemistry, National Institute of Technology Calicut, Kozhikode, Kerala 673 601, India., De S; Department of Applied Chemistry, Cochin University of Science and Technology, Trikakkara, Kochi, Kerala 682 022, India.; Inter University Centre for Nanomaterials and Devices, Cochin University of Science and Technology, Trikakkara, Kochi, Kerala 682 022, India.

Publikováno v: The journal of physical chemistry. B [J Phys Chem B] 2021 Jan 14; Vol. 125 (1), pp. 86-100. Date of Electronic Publication: 2020 Dec 28.

Quantum Calculations on Ion Channels: Why Are They More Useful Than Classical Calculations, and for Which Processes Are They Essential?

Autor: Kariev, Alisher M.¹ (AUTHOR) akariev@ccny.cuny.edu, Green, Michael E.¹ (AUTHOR) mgreen@ccny.cuny.edu, Lavagno, Andrea (AUTHOR)

Publikováno v: Symmetry (20738994). Apr2021, Vol. 13 Issue 4, p655. 1p.