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Open Access

Peer-reviewed

Research Article

Multivariate PLS Modeling of Apicomplexan FabD-Ligand Interaction Space for Mapping Target-Specific Chemical Space and Pharmacophore Fingerprints

Ashalatha Sreshty Mamidi ,

Contributed equally to this work with: Ashalatha Sreshty Mamidi, Prerna Arora

Affiliation Molecular Biophysics Unit, Indian Institute of Science, Bangalore, Karnataka, India
⨯
Prerna Arora ,

Contributed equally to this work with: Ashalatha Sreshty Mamidi, Prerna Arora

Affiliation Molecular Biophysics Unit, Indian Institute of Science, Bangalore, Karnataka, India
⨯
Avadhesha Surolia

* E-mail: surolia@mbu.iisc.ernet.in

Affiliation Molecular Biophysics Unit, Indian Institute of Science, Bangalore, Karnataka, India
⨯

Multivariate PLS Modeling of Apicomplexan FabD-Ligand Interaction Space for Mapping Target-Specific Chemical Space and Pharmacophore Fingerprints

Ashalatha Sreshty Mamidi,
Prerna Arora,
Avadhesha Surolia

x

Published: November 4, 2015
https://doi.org/10.1371/journal.pone.0141674

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Malonates
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Free energy
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Protein interactions
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