Sam Paul D

Employment

• Sekkei Bio Private Limited Computational Biologist
  2025 - Present

Education

• University of Madras ICMR - Research Scientist - II
  2023 - Present
• University of Madras Dr. D.S. Kothari Postdoctoral Fellow
  2019 - 2022
• Sam Paul Ph.D.
  2010 - 2018
• Madras Christian College M.Sc.
  2008 - 2010
• Madras Christian College B.Sc.
  2005 - 2008

Projects & Funding

Projects & funding information is unavailable.

Publications (5)

• Digital nets conformational sampling (DNCS) – an enhanced sampling technique to explore the conformational space of intrinsically disordered peptides
  Physical Chemistry Chemical Physics 2024 DOI: 10.1039/D4CP01891E
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• Improved docking of peptides and small molecules in iMOLSDOCK
  Journal of Molecular Modeling 2023 DOI: 10.1007/s00894-022-05413-3
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• Protein–small molecule docking with receptor flexibility in iMOLSDOCK
  Journal of Computer-Aided Molecular Design 2018 DOI: 10.1007/s10822-018-0152-8
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• iMOLSDOCK: Induced-fit docking using mutually orthogonal Latin squares (MOLS)
  Journal of Molecular Graphics and Modelling 2017 DOI: https://doi.org/10.1016/j.jmgm.2017.03.008
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• MOLS 2.0: software package for peptide modeling and protein--ligand docking
  Journal of Molecular Modeling 2016 DOI: 10.1007/s00894-016-3106-x
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