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Listed
Presence
Current · Arkansas
Last published
2026
Sources
OpenAlex · ORCID
Refreshed
2026-10-05
A
Adithya Polasa
Insilco antibody and protein engineering postdoctoral fellow
Also affiliated: Boehringer Ingelheim (United States) (2025–2026)
7 h-index
37 pubs
195 cited
Research Areas
Biomedical Subjects
Links
Biography and Research Information
OverviewAI-generated summary
Adithya Polasa's research focuses on the application and development of computational methods in biophysics and chemistry. Polasa specializes in molecular modeling, visualization software, and molecular dynamics simulation engines. Current work investigates the development of free energy calculation methods and their application to systems such as membrane insertases and influenza hemagglutinin. Polasa has also worked on optimizing and parallelizing scientific programs for various computer architectures.
Polasa's research has contributed to understanding protein dynamics and function. Publications include studies on binding affinity estimation from restrained umbrella sampling simulations, the conformational changes of viral spike proteins, and the conformational cycle of ABC transporters. Other work has involved elucidating the molecular basis of spontaneous protein activation and investigating membrane protein insertion mechanisms using molecular dynamics simulations. Polasa has also contributed to the design of recombinant proteins for nanoparticle synthesis.
With an h-index of 7 and 177 total citations across 37 publications, Polasa collaborates with researchers at the University of Arkansas at Fayetteville, including Mahmoud Moradi, Ugochi H. Isu, Vivek Govind Kumar, and James Losey.
Metrics
- h-index: 7
- Publications: 37
- Citations: 195
Positions
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Insilco antibody and protein engineering postdoctoral fellow 2023–presentBoehringer Ingelheim Biotherapeutics Research & Development ORCID
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Insilco antibody and protein engineering postdoctoral fellow publications 2019–2026University of Arkansas at Fayetteville ORCID
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Postdoctoral research fellow 2022–2023University of Arkansas at Fayetteville Chemistry and Biochemistry ORCID
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Senior Research Assistant 2018–2022University of Arkansas Fayetteville Chemistry and Biochemistry ORCID
Selected Publications
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Simulating Freely Diffusing Single-Molecule FRET Data with Consideration of Protein Conformational Dynamics (2026)
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Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling (2024)
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Deciphering the Interdomain Coupling in a Gram-Negative Bacterial Membrane Insertase (2024)
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Differential Behavior of Conformational Dynamics in Active and Inactive States of Cannabinoid Receptor 1 (2024)
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Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling (2024)
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Differential Behavior of Conformational Dynamics in Active and Inactive States of Cannabinoid Receptor 1 (2024)
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Cholesterol Dependence of the Conformational Changes in Metabotropic Glutamate Receptor 1 (2024)
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Differential behavior of conformational dynamics in active and inactive states of cannabinoid receptor 1 revealed by microsecond molecular dynamics simulation (2024)
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A purely physics-based computational binding affinity estimation from restrained umbrella sampling simulations (2024)
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cpSRP43 Is Both Highly Flexible and Stable: Structural Insights Using a Combined Experimental and Computational Approach (2023)
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Ins and Outs of Rocker Switch Mechanism in Major Facilitator Superfamily of Transporters (2023)
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Elucidating the molecular basis of spontaneous activation in an engineered mechanosensitive channel (2023)
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Cholesterol dependence on the conformational changes of metabotropic glutamate receptor 1 (mGLuR1) (2023)
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Binding affinity estimation from restrained umbrella sampling simulations (2022)
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Deciphering the Inter-domain Decoupling in the Gram-negative Bacterial Membrane Insertase (2022)
Collaboration Network
Top Collaborators
Mahmoud Moradi
University of Arkansas at Fayetteville
33 shared publications
In database
- Binding affinity estimation from restrained umbrella sampling simulations
- Ins and Outs of Rocker Switch Mechanism in Major Facilitator Superfamily of Transporters
- Prefusion spike protein conformational changes are slower in SARS-CoV-2 than in SARS-CoV-1
- Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling
- Elucidating the molecular basis of spontaneous activation in an engineered mechanosensitive channel
Showing 5 of 33 shared publications
Vivek Govind Kumar
University of Arkansas at Fayetteville
9 shared publications
In database
- Binding affinity estimation from restrained umbrella sampling simulations
- Prefusion spike protein conformational changes are slower in SARS-CoV-2 than in SARS-CoV-1
- Differential Dynamic Behavior of Prefusion Spike Proteins of SARS Coronaviruses 1 and 2
- Comparing the Dynamic Differences between X-ray and Cryo-EM Structures of Cannabinoid Receptor 1 using Molecular Dynamics Simulations
- cpSRP43 Is Both Highly Flexible and Stable: Structural Insights Using a Combined Experimental and Computational Approach
Showing 5 of 9 shared publications
Ugochi H. Isu
University of Arkansas at Fayetteville
9 shared publications
In database
- Prefusion spike protein conformational changes are slower in SARS-CoV-2 than in SARS-CoV-1
- Differential Dynamic Behavior of Prefusion Spike Proteins of SARS Coronaviruses 1 and 2
- Differential Behavior of Conformational Dynamics in Active and Inactive States of Cannabinoid Receptor 1
- Comparing the Dynamic Differences between X-ray and Cryo-EM Structures of Cannabinoid Receptor 1 using Molecular Dynamics Simulations
- Cholesterol Dependence of the Conformational Changes in Metabotropic Glutamate Receptor 1
Showing 5 of 9 shared publications
Kalyan Immadisetty
7 shared publications
- Elucidating the molecular basis of spontaneous activation in an engineered mechanosensitive channel
- An investigation of the YidC-mediated membrane insertion of Pf3 coat protein using molecular dynamics simulations
- An Investigation of the YidC-Mediated Membrane Insertion of Pf3 Coat Protein Using Molecular Dynamics Simulations
- Elucidating the Molecular Basis of pH Activation of an Engineered Mechanosensitive Channel
- An Investigation of the YidC-Mediated Membrane Insertion of a Pf3 Coat Protein Using MD Simulations
Showing 5 of 7 shared publications
James Losey
University of Arkansas at Fayetteville
5 shared publications
In database
- Prefusion spike protein conformational changes are slower in SARS-CoV-2 than in SARS-CoV-1
- Developing a rational approach to designing recombinant proteins for peptide-directed nanoparticle synthesis
- Differential Dynamic Behavior of Prefusion Spike Proteins of SARS Coronaviruses 1 and 2
- Computational Elucidation of Recombinant Fusion Protein Effect on Peptide-Directed Nanoparticles
- Simulating Freely Diffusing Single-Molecule FRET Data with Consideration of Protein Conformational Dynamics
Dylan S. Ogden
University of Arkansas at Fayetteville
4 shared publications
In database
- Prefusion spike protein conformational changes are slower in SARS-CoV-2 than in SARS-CoV-1
- Differential Dynamic Behavior of Prefusion Spike Proteins of SARS Coronaviruses 1 and 2
- Binding Free Energy Calculations of NMDA Glutamate Receptors
- An Investigation of the Influenza Hemagglutinin Membrane Fusion Process using Microsecond-Level MD Simulations
Jeevapani J. Hettige
University of Arkansas at Fayetteville
4 shared publications
In database
- An investigation of the YidC-mediated membrane insertion of Pf3 coat protein using molecular dynamics simulations
- An Investigation of the YidC-Mediated Membrane Insertion of Pf3 Coat Protein Using Molecular Dynamics Simulations
- An Investigation of the YidC-Mediated Membrane Insertion of a Pf3 Coat Protein Using MD Simulations
- An investigation of the YidC-mediated membrane insertion of Pf3 coat protein using molecular dynamics simulations
Shadi A. Badiee
University of Arkansas at Fayetteville
4 shared publications
In database
- Deciphering the Inter-domain Decoupling in the Gram-negative Bacterial Membrane Insertase
- Deciphering the Interdomain Coupling in a Gram-Negative Bacterial Membrane Insertase
- Cholesterol Dependence of the Conformational Changes in Metabotropic Glutamate Receptor 1
- Molecular dynamics investigation of the ph-dependent influenza hemagglutinin conformational change
Reid Shelton
University of Arkansas at Fayetteville
3 shared publications
In database
- Elucidating the molecular basis of spontaneous activation in an engineered mechanosensitive channel
- Elucidating the Molecular Basis of pH Activation of an Engineered Mechanosensitive Channel
- Elucidating the molecular basis of spontaneous activation in an engineered mechanosensitive channel
Matthew Brownd
University of Arkansas at Fayetteville
3 shared publications
In database
- Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling
- Investigation of Cyclic AMP Binding Interactions with Isolated Cyclic Nucleotide Binding Domain of HCN1 Channel using Atomistic Molecular Dynamics Simulations at Microsecond Timescale
- Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling
Seyed Hamid Tabari
University of Arkansas at Fayetteville
3 shared publications
In database
- Cholesterol Dependence of the Conformational Changes in Metabotropic Glutamate Receptor 1
- Developing Efficient Transfer Free Energy Calculation Methods for Hydrophobicity Predictions
- Cholesterol dependence on the conformational changes of metabotropic glutamate receptor 1 (mGLuR1)
Mortaza Derakhshani-Molayousefi
University of Arkansas at Fayetteville
3 shared publications
In database
- Cholesterol Dependence of the Conformational Changes in Metabotropic Glutamate Receptor 1
- Characterizing the roles of chemo-mechanical couplings in the differential behavior of SARS-CoV-1 and SARS-CoV-2 spike glycoprotein
- Cholesterol dependence on the conformational changes of metabotropic glutamate receptor 1 (mGLuR1)
Imann Mosleh
Cornell University (US)
2 shared publications
- Developing a rational approach to designing recombinant proteins for peptide-directed nanoparticle synthesis
- Computational Elucidation of Recombinant Fusion Protein Effect on Peptide-Directed Nanoparticles
Alireza Abbaspourrad
University of Arkansas at Fayetteville (US)
2 shared publications
- Developing a rational approach to designing recombinant proteins for peptide-directed nanoparticle synthesis
- Computational Elucidation of Recombinant Fusion Protein Effect on Peptide-Directed Nanoparticles
Robert Beitle
Cornell University
2 shared publications
In database
- Developing a rational approach to designing recombinant proteins for peptide-directed nanoparticle synthesis
- Computational Elucidation of Recombinant Fusion Protein Effect on Peptide-Directed Nanoparticles
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