Search Results - "Kesavan, Lakshmi"

Molecular Dynamics Simulations of the Catalytic Pathway of a Cysteine Protease:  A Combined QM/MM Study of Human Cathepsin K by Ma, Shuhua, Devi-Kesavan, Lakshmi S, Gao, Jiali

“…Molecular dynamics simulations using a combined QM/MM potential have been performed to study the catalytic mechanism of human cathepsin K, a member of the…”
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Neuroprotective derivatives of tacrine that target NMDA receptor and acetyl cholinesterase – Design, synthesis and biological evaluation by Remya, Chandran, Dileep, K.V., Koti Reddy, Eeda, Mantosh, Kumar, Lakshmi, Kesavan, Sarah Jacob, Reena, Sajith, Ayyiliyath M., Jayadevi Variyar, E., Anwar, Shaik, Zhang, Kam Y.J., Sadasivan, C., Omkumar, R.V.

“…[Display omitted] The complex and multifactorial nature of neuropsychiatric diseases demands multi-target drugs that can intervene with various sub-pathologies…”
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Protection of α-CaMKII from Dephosphorylation by GluN2B Subunit of NMDA Receptor Is Abolished by Mutation of Glu96 or His282 of α-CaMKII by Mayadevi, Madhavan, Lakshmi, Kesavan, Suma Priya, Sudarsana Devi, John, Sebastian, Omkumar, Ramakrishnapillai V

“…Interaction of CaMKII and the GluN2B subunit of NMDA receptor is essential for synaptic plasticity events such as LTP. Synaptic targeting of CaMKII and…”
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Combined QM/MM Study of the Mechanism and Kinetic Isotope Effect of the Nucleophilic Substitution Reaction in Haloalkane Dehalogenase by Devi-Kesavan, Lakshmi S., Gao, Jiali

“…Combined QM/MM molecular dynamics simulations have been carried out for the dehalogenation reaction of the nucleophilic displacement of dichloroethane…”
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Dynamics of an Enzymatic Substitution Reaction in Haloalkane Dehalogenase by Nam, Kwangho, Prat-Resina, Xavier, Garcia-Viloca, Mireia, Devi-Kesavan, Lakshmi S, Gao, Jiali

“…Reactive flux molecular dynamics simulations have been carried out using a combined QM/MM potential to study the dynamics of the nucleophilic substitution…”
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Cellular calcium signaling in the aging brain by Chandran, Remya, Kumar, Mantosh, Kesavan, Lakshmi, Jacob, Reena Sarah, Gunasekaran, Sowmya, Lakshmi, Sethu, Sadasivan, C., Omkumar, R.V.

“…•Calcium signaling and homeostasis in the brain show age dependent changes.•Tight regulation of calcium signaling is essential for vital functions of…”
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Protection of [alpha]-CaMKII from Dephosphorylation by GluN2B Subunit of NMDA Receptor Is Abolished by Mutation of Glu.sup.96 or His.sup.282 of [alpha]-CaMKII by Mayadevi, Madhavan, Lakshmi, Kesavan, Suma Priya, Sudarsana Devi, John, Sebastian, Omkumar, Ramakrishnapillai V

“…Interaction of CaMKII and the GluN2B subunit of NMDA receptor is essential for synaptic plasticity events such as LTP. Synaptic targeting of CaMKII and…”
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Natural self‐emulsifying reversible hybrid‐hydrogel delivery (N'SERH) of tocopherol enhances bioavailability and modulates alcohol‐induced reproductive toxicity in rats by Vismaya, K. U., Noorjasmine, T. N., Syam Das, S., Kesavan, Lakshmi, Baby Chakrapani, P. S., Krishnakumar, I. M., Kumar, C. V. Sreeranjit

“…Alpha‐tocopherol (α‐Toc), an antioxidant vitamin, has been widely prescribing in the treatment of infertility, in spite of its limited oral bioavailability…”
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A Cooperative Molecular Modeling Exercise—The Hypersurface as Classroom by Cramer, Christopher J, Kormos, Bethany L, Winget, Paul, Audette, Vanessa M, Beebe, Jeremy M, Brauer, Carolyn S, Burdick, W. Russ, Cochran, Eric W, Eklov, Brian L, Giese, Timothy J, Jun, Yongseok, Kesavan, Lakshmi S. D, Kinsinger, Christopher R, Minyaev, Mickail E, Rajamani, Ramkumar, Salsbury, Jonathon S, Stubbs, John M, Surek, Jack T, Thompson, Jason D, Voelz, Vincent A, Wick, Collin D, Zhang, Ling

“…A molecular modeling exercise and an associated exam that have both competitive and cooperative learning aspects are described. Collaborative efforts are…”
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Semiempirical QM/MM potential with simple valence bond (SVB) for enzyme reactions. Application to the nucleophilic addition reaction in haloalkane dehalogenase by Gao, J., Devi-Kesavan, L.S., Garcia-Viloca, M.

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Understanding the catalytic mechanism of haloalkane dehalogenase: A combined QM/MM study by Devi-Kesavan, Lakshmi Saraswathy

“…Understanding the molecular origin of enzyme catalysis and providing an atomistic view of the mechanism of enzyme action are the major focus of this thesis…”
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Understanding the catalytic mechanism of haloalkane dehalogenase: A combined QM/MM study by Devi-Kesavan, Lakshmi Saraswathy

“…Understanding the molecular origin of enzyme catalysis and providing an atomistic view of the mechanism of enzyme action are the major focus of this thesis…”
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