Sairam S. Mallajosyula

Employment

• Indian Institute of Technology Gandhinagar Associate Professor
  2021 - Present

Education

Education history is unavailable.

Projects & Funding

Projects & funding information is unavailable.

Publications (52)

• Further Refinement and Validation of the Drude Polarizable Force Field for Carboxylate and N-Acetyl amine Hexopyranose Derivatives
  Journal of Chemical Theory and Computation 2025 DOI: 10.1021/acs.jctc.5c00369
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• Refinement of the Drude Polarizable Force Field for Hexose Monosaccharides: Capturing Ring Conformational Dynamics with Enhanced Accuracy
  Journal of Chemical Theory and Computation 2024 DOI: 10.1021/acs.jctc.4c00656
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• Molecular simulations for Ayurvedic phytochemicals – Unmet needs
  International Journal of Ayurveda Research 2024 DOI: 10.4103/ijar.ijar_33_24
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• Graphene: From Solid Support for Nucleobase Assisted Self-Assemblies to Functional Material for DNA Sequencing
  The Journal of Physical Chemistry C 2024 DOI: 10.1021/acs.jpcc.3c08041
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• Unveiling DNA Translocation in Pristine Graphene Nanopores: Understanding Pore Clogging via Polarizable Simulations
  ACS Applied Materials & Interfaces 2023 DOI: 10.1021/acsami.3c12262
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• Impact of Polarization on the Ring Puckering Dynamics of Hexose Monosaccharides
  Journal of Chemical Information and Modeling 2023 DOI: 10.1021/acs.jcim.2c01286
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• Capturing charge and size effects of ions at the graphene–electrolyte interface using polarizable force field simulations
  Nanoscale Advances 2023 DOI: 10.1039/d2na00733a
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• Capturing Concentration-Induced Aggregation of Nucleobases on a Graphene Surface through Polarizable Force Field Simulations
  The Journal of Physical Chemistry C 2022 DOI: 10.1021/acs.jpcc.2c02910
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• Experimental and simulation studies reveal mechanism of action of human defensin derivatives
  Biochimica et Biophysica Acta (BBA) - Biomembranes 2022 DOI: 10.1016/j.bbamem.2021.183824
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• Site-Specific Stabilization and Destabilization of α Helical Peptides upon Phosphorylation and O-GlcNAcylation
  The Journal of Physical Chemistry B 2021 DOI: 10.1021/acs.jpcb.1c09419
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