Adithya Polasa

Insilco antibody and protein engineering postdoctoral fellow

University of Arkansas at Fayetteville

postdoc

7 h-index 35 pubs 166 cited

Research Areas

Protein Structure and Dynamics Computational Drug Discovery Methods Molecular Biology Techniques and Applications Nanoparticles: synthesis and applications SARS-CoV-2 and COVID-19 Research Parallel Computing and Optimization Techniques

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OverviewAI-generated summary

Adithya Polasa's research focuses on computational chemistry and biophysics, utilizing molecular modeling, visualization software, and molecular dynamics simulations. Polasa develops and applies computational methods to investigate complex biological systems, including membrane insertase, influenza hemagglutinin, and mechanosensitive channels. Current work involves refining free energy calculation methods for these systems and optimizing scientific programs for high-performance computing environments.

Polasa's publications explore diverse areas within protein structure and dynamics, including conformational changes in viral proteins like SARS-CoV-2 spike protein and the mechanisms of transporters. Research also extends to designing recombinant proteins for nanoparticle synthesis and elucidating the molecular basis of protein activation and function. Polasa holds a Master's degree in Biomedical Science with a concentration on Cancer Biology from Long Island University and a Bachelor of Pharmacy from Jawaharlal Nehru Technology University.

Metrics

  • h-index: 7
  • Publications: 35
  • Citations: 166

Selected Publications

  • Simulating Freely Diffusing Single-Molecule FRET Data with Consideration of Protein Conformational Dynamics (2026) DOI
  • Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling (2024) DOI
  • Deciphering the Interdomain Coupling in a Gram-Negative Bacterial Membrane Insertase (2024) DOI
  • Differential Behavior of Conformational Dynamics in Active and Inactive States of Cannabinoid Receptor 1 (2024) DOI
  • Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling (2024) DOI
  • Differential Behavior of Conformational Dynamics in Active and Inactive States of Cannabinoid Receptor 1 (2024) DOI
  • Cholesterol Dependence of the Conformational Changes in Metabotropic Glutamate Receptor 1 (2024) DOI
  • Differential behavior of conformational dynamics in active and inactive states of cannabinoid receptor 1 revealed by microsecond molecular dynamics simulation (2024) DOI
  • A purely physics-based computational binding affinity estimation from restrained umbrella sampling simulations (2024) DOI
  • cpSRP43 Is Both Highly Flexible and Stable: Structural Insights Using a Combined Experimental and Computational Approach (2023) DOI
  • Ins and Outs of Rocker Switch Mechanism in Major Facilitator Superfamily of Transporters (2023) DOI
  • Elucidating the molecular basis of spontaneous activation in an engineered mechanosensitive channel (2023) DOI
  • Cholesterol dependence on the conformational changes of metabotropic glutamate receptor 1 (mGLuR1) (2023) DOI
  • Binding affinity estimation from restrained umbrella sampling simulations (2022) DOI
  • Deciphering the Inter-domain Decoupling in the Gram-negative Bacterial Membrane Insertase (2022) DOI

Collaborators

Researchers in the database who share publications

Mahmoud Moradi University of Arkansas at Fayetteville 18 shared publications Ugochi H. Isu University of Arkansas at Fayetteville 8 shared publications Vivek Govind Kumar University of Arkansas at Fayetteville 8 shared publications James Losey University of Arkansas at Fayetteville 4 shared publications Shadi A. Badiee University of Arkansas at Fayetteville 4 shared publications Mortaza Derakhshani-Molayousefi University of Arkansas at Fayetteville 3 shared publications Seyed Hamid Tabari University of Arkansas at Fayetteville 3 shared publications Thallapuranam Krishnaswamy Suresh Kumar University of Arkansas at Fayetteville 2 shared publications

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