Publications by authors named "Vijayakumar Subramaniam"

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Superatom molecular orbital in C.
Padmavathy Venkatakrishnan, Artem V Kuklin, Rahul Suresh, Vijayakumar Subramaniam

J Comput Chem· May 2024

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Structural and electronic properties of Li-adsorbed single and bilayer porphyrin sheets as an electrode material for energy storage devices - a DFT analysis.
Asnafarsin K A, Anithaa V S, Abhayram Balakrishnan, Rahul Suresh, Norge Cruz Hernandez, Vijayakumar Subramaniam

Phys Chem Chem Phys· February 2024

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Santalol Isomers Inhibit Transthyretin Amyloidogenesis and Associated Pathologies in .
Amirthalingam Mohankumar, Duraisamy Kalaiselvi, Govindhan Thiruppathi, Sivaramakrishnan Muthusaravanan, Subramaniam Vijayakumar

Front Pharmacol· June 2022

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Reinforcing the tetracene-based two-dimensional CH sheet by decorating the Li, Na, and K atoms for hydrogen storage and environmental application -A DFT study.
Mohanapriya Subramani, Akilan Rajamani, Vijayakumar Subramaniam, Mohammad Rafe Hatshan, Sivalingam Gopi

Environ Res· March 2022

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A first principle study of heme molecule as an active adsorbent for halogenated hydrocarbons.
Rahul Suresh, V S Anithaa, R Shankar, Vijayakumar Subramaniam

J Mol Model· June 2021

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In silico studies of the inhibition mechanism of dengue with papain.
Vasudevan Saranya, Ramachandran Radhika, Ramasamy Shankar, Subramaniam Vijayakumar

J Biomol Struct Dyn· April 2021

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Kinetics and degradation of camphene with OH radicals and its subsequent fate under the atmospheric O and NO radicals - A theoretical study.
Mohanapriya Subramani, Vinnarasi Saravanan, Jayaraman Theerthagiri, Vijayakumar Subramaniam, Thangavelu Pazhanivel

Chemosphere· March 2021

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The hazardous effects of the environmental toxic gases on amyloid beta-peptide aggregation: A theoretical perspective.
Vasudevan Saranya, Pitchumani Violet Mary, Subramaniam Vijayakumar, Ramasamy Shankar

Biophys Chem· August 2020

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Modeling of Si-B-N Sheets and Derivatives as a Potential Sorbent Material for the Adsorption of Li Ion and CO Gas Molecule.
Akilan Rajamani, Vinnarasi Saravanan, Subramaniam Vijayakumar, Ramasamy Shankar

ACS Omega· August 2019

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Impact of Oxygen Functional Groups on Reduced Graphene Oxide-Based Sensors for Ammonia and Toluene Detection at Room Temperature.
Cherukutty Ramakrishnan Minitha, Velunair Sukumaran Anithaa, Vijayakumar Subramaniam, Ramasamy Thangavelu Rajendra Kumar

ACS Omega· April 2018

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Differentiating serine and cysteine protease mechanisms by new covalent QSAR descriptors.
Michael Shokhen, Tamar Traube, Subramaniam Vijayakumar, Michal Hirsch, Neta Uritsky

Chembiochem· May 2011

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EMBM - a new enzyme mechanism-based method for rational design of chemical sites of covalent inhibitors.
Tamar Traube, Subramaniam Vijayakumar, Michal Hirsch, Neta Uritsky, Michael Shokhen

J Chem Inf Model· December 2010

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