89 • Shani Zev, Keren Raz, Renana Schwartz, Reem Tarabeh, Prashant Kumar Gupta, Dan T Major. “Benchmarking the Ability of Common Docking Programs to Correctly Reproduce and Score Binding Modes in SARS-CoV-2 Protease Mpro”. Journal of chemical information and modeling, 2021. • Severin Merget, Lorenzo Catti, Shani Zev, Dan T Major, Nils Trapp, Konrad Tiefenbacher. “Concentration-dependent Self-assembly of an Unusually Large Hexameric Hydrogen-bonded Molecular Cage”. Chemistry–A European Journal, 2021. • Anil R Mhashal, Dan Thomas Major. “Temperature-Dependent Kinetic Isotope Effects in R67 Dihydrofolate Reductase from Path-Integral Simulations”. The Journal of Physical Chemistry B, 2021. • Dan T Major, Leeor Kronik. “Computational Materials Science in Israel”. Israel Journal of Chemistry 60 (89), 766-767, 2020. • N Khamaru, S De, A Das, Vijay Singh, Dan Thomas Major, P Dasgupta, D Das, S Chatterjee. “Structural and magnetic investigations on Cu-doped MnV2O6 compound: Experiment and theory”. Journal of Magnetism and Magnetic Materials, 2020. • Raz, K.; Driller, R.; Dimos, N.; Ringel, M.; Bruck, T.; Loll, B.; Major, D. T. “The impression of a non- existing catalytic effect: The role of CotB2 in guiding the complex biosynthesis of cyclooctat-9-en- 7-ol”. Accepted J. Am. Chem. Soc, 2020. • Kunnikuruvan, S.; Chakraborty, A.; Major, D. T. “A Monte Carlo and Simulated Annealing Based Funneled Approach for the Prediction of Cation Ordering in Mixed Transition-Metal Oxide Materials”. Accepted J. Phys. Chem. C, 2020. • Chae, M. S.; Chakraborty, A.; Kunnikuruvan, S.; Attias, R.; Maddukuri, S.; Gofer, Y.; Major, D. T.; Aurbach, D. “Vacancy-Driven High Rate Capabilities in calcium-Doped Na0.4MnO2 Cathodes for Aqueous Sodium-Ion Batteries”. Accepted Adv. Ener. Mat, 2020. • Chakraborty, A.; Kunnikuruvan, S.; Zitoun, D.; Major, D. T. “First Principle Study of Electrocatalytic Behavior of Olivine Phosphates with Mixed Alkali and Mixed Transition Metal Atoms”. RSC Adv, 2020, 10, 29175-29180. • Major, D. T.; Kronik, L. “Special Issue: Computational Materials Chemistry in Israel”. Isr. J. Chem, 2020, 60, 766-767. • Chakraborty, A.; Kunnikuruvan, S.; Dixit, M.; Major, D. T. “Review of computational studies of NCM cathode materials for Li-ion Batteries”. Isr. J. Chem, 2020, 60, 850-862. • Raz, K.; Levi, S.; Gupta, P. K.; Major, D. T. “Enzymatic Control of Product Distribution in Terpene Synthases: Insights from Multiscale Simulations”. Curr. Opin. Biotech, 2020, 65, 248-258. • Levi, S.; Zhang, Q.; Major, D. T. “Thermodynamic and Kinetic Control Determine Sesquiterpene Reaction Pathways inside Nano Capsules”. ACS Catal, 2020, 10, 6843-6853. • Perkal, O.; Qasem, Z.; Turgeman, M.; Schwartz, R.; Gevorkyan-Airapetov, L.; Pavlin, M.; Magistrato, A.; Major, D. T.; Ruthstein, S. “Cu(I) controls conformational states in human Atox1 metallochaperone: An EPR and multiscale simulation study”. J. Phys. Chem. B, 2020, 124, 4399- 4411. • Syntrivanis, L-. D.; Nemethova, I.; Schmid, D.; Levi, S.; Prescimone, A.; Bissegger, F.; Major, D. T.; Tiefenbacher, K. “Fourstep access to the sesquiterpene natural product presilphiperfolan-1β-ol and unnatural derivatives via supramolecular catalysis”. J. Am. Chem. Soc, 2020, 142, 5896-5900. • Kannath, S.; Adamczyk, P.; Ferro-Costas, D.; Fernandez-Ramos, A.; Major, D. T.; Dybala-Defratyka, A. “The Role of Microsolvation and Quantum Effects in the Accurate Prediction of Kinetic Isotope Effects: the Case of Hydrogen Atom Abstraction in Ethanol by Atomic Hydrogen in Aqueous Solution”. J. Chem. Theory Comput, 2020, 16, 2, 847-859. • Chakraborty, A.; Kunnikuruvan, S.; Kumar, S.; Markovsky, B.; Aurbach, A.; Dixit, M.; Major, D. T. “Layered Cathode Materials for Lithium-Ion Batteries: Review of Computational Studies on LiNi1-x-y CoxMnyO2 and LiNi1-x-yCoxAlyO2”. Chem. Mater, 2020, 32, 915-952. • Raz, K.; Driller, R.; Brueck, T.; Loll, B.; Major, D. T. “Understanding the Role of Active Site Residues in CotB2 Catalysis Using a Cluster Model”. Beilstein J. Org. Chem, 2020, 16, 50-59. • Khamaru, N.; De, S.; Das, A.; Singh, V.; Major, D. T.; Dasgupta, P.; Das, D.; Chatterjee, S. “Effects of Cu-doping on the structural and magnetic properties of 1-D chain compound MnV2O6”. J. Magn. Magn. Mater, 2020, 497, 165995. Prof. Mandel Yossi The Mina & Everard Goodman Faculty of Life Sciences Member of BINA Nano-Medicine Center Research Areas Ophthalmic Science and Engineering Lab • Electro-cellular interfaces, optical and electronic micro-devices development • Applied science for improving diagnosis, treatment and prevention of various ophthalmicdiseases. • Artificial introduction of the visual information and its processing by the retina and the visual cortex. • Electro-cellular interface with the autonomic system and application of high electrical field for solid tumor ablation (IRE - Irreversible Electroporation). Our lab is pursuing several strategies for vision restoration in people with degenerative diseases of the outer retina. The main focus is the development of the hybrid retinal implant (HRI) which combines electrical and cell replacement therapy approaches for vision restoration. The HRI concept relies on the coupling of glutamtergic cells with electrodes situated at the bottom of an insulating microwells, and their integration with host retina following subretinal implantation. The realization of this concepts entails many fields, from stem cells through neural engineering to electrode and device fabrication using advanced nanotechnology. We are also developing a retinal patch composed of RPE cells and photoreceptors generated from hESC. Additional projects are focused on studying the visual systemelectrophysiology and function.
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