The Unfolding MD Simulations of Cyclophilin: Analyzed by Surface Contact Networks and Their Associated Metrics

Open Access

Peer-reviewed

Research Article

Sourav Roy,

Affiliation Saha Institute of Nuclear Physics, Sector 1, Block AF, Bidhannagar, Kolkata, 700064 India
⨯
Sankar Basu,

Affiliation Saha Institute of Nuclear Physics, Sector 1, Block AF, Bidhannagar, Kolkata, 700064 India
⨯
Dipak Dasgupta,

Affiliation Saha Institute of Nuclear Physics, Sector 1, Block AF, Bidhannagar, Kolkata, 700064 India
⨯
Dhananjay Bhattacharyya ,

* E-mail: dhananjay.bhattacharyya@saha.ac.in (DB); rahul.banerjee@saha.ac.in (RB)

Affiliation Saha Institute of Nuclear Physics, Sector 1, Block AF, Bidhannagar, Kolkata, 700064 India
⨯
Rahul Banerjee

* E-mail: dhananjay.bhattacharyya@saha.ac.in (DB); rahul.banerjee@saha.ac.in (RB)

Affiliation Saha Institute of Nuclear Physics, Sector 1, Block AF, Bidhannagar, Kolkata, 700064 India
⨯

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Crystal structure
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Transition state
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Network analysis
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Biochemical simulations
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Protein interaction networks
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Free energy
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Molecular dynamics
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Protein folding
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