Visualization of Early Events in Acetic Acid Denaturation of HIV-1 Protease: A Molecular Dynamics Study

Aditi Narendra Borkar; Manoj Kumar Rout; Ramakrishna V. Hosur

doi:10.1371/journal.pone.0019830

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Open Access

Peer-reviewed

Research Article

Visualization of Early Events in Acetic Acid Denaturation of HIV-1 Protease: A Molecular Dynamics Study

Aditi Narendra Borkar,

Current address: Department of Chemistry, University of Cambridge, Cambridge, United Kingdom

Affiliations Institute of Bioinformatics and Biotechnology, University of Pune, Ganeshkhind, Pune, India, Department of Chemical Sciences, Tata Institute of Fundamental Research, Homi Bhabha Road, Colaba, Mumbai, India
⨯
Manoj Kumar Rout,

Affiliation Department of Chemical Sciences, Tata Institute of Fundamental Research, Homi Bhabha Road, Colaba, Mumbai, India
⨯
Ramakrishna V. Hosur

* E-mail: hosur@tifr.res.in

Affiliations Department of Chemical Sciences, Tata Institute of Fundamental Research, Homi Bhabha Road, Colaba, Mumbai, India, UM-DAE Centre for Excellence in Basic Sciences, Mumbai University Campus, Kalina, Santa Cruz Mumbai, India
⨯

Visualization of Early Events in Acetic Acid Denaturation of HIV-1 Protease: A Molecular Dynamics Study

Aditi Narendra Borkar,
Manoj Kumar Rout,
Ramakrishna V. Hosur

Published: June 29, 2011
https://doi.org/10.1371/journal.pone.0019830

About the Authors

Aditi Narendra Borkar

Current address: Department of Chemistry, University of Cambridge, Cambridge, United Kingdom

Affiliations Institute of Bioinformatics and Biotechnology, University of Pune, Ganeshkhind, Pune, India, Department of Chemical Sciences, Tata Institute of Fundamental Research, Homi Bhabha Road, Colaba, Mumbai, India

Manoj Kumar Rout

Affiliation Department of Chemical Sciences, Tata Institute of Fundamental Research, Homi Bhabha Road, Colaba, Mumbai, India

Ramakrishna V. Hosur

* E-mail: hosur@tifr.res.in

Affiliations Department of Chemical Sciences, Tata Institute of Fundamental Research, Homi Bhabha Road, Colaba, Mumbai, India, UM-DAE Centre for Excellence in Basic Sciences, Mumbai University Campus, Kalina, Santa Cruz Mumbai, India

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Conceived and designed the experiments: ANB RVH MKR. Performed the experiments: ANB. Analyzed the data: ANB. Contributed reagents/materials/analysis tools: RVH. Wrote the paper: ANB RVH.

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Denaturation
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Acetic acid
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Monomers
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Dimers
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Protein denaturation
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Biochemical simulations
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Molecular dynamics
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Protein structure
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