Computational protein designer specializing in machine-learning–driven protein and cyclic peptide design. Experienced in binder design, engineering immune-receptor–antigen interfaces, and building open-source protein-engineering and sequence screening pipelines. Seeking to build and apply generative protein design and folding models towards rational engineering of protein therapeutic candidates.

Discipline: Computational Structural Biology

Published the, PDB ID: 8WSV - Crystal structure HosA E.coli

Research Skills/Expertise

Laboratory: Recombinant protein expression and purification | Bacterial cell culturing | SDS-PAGE, Sonication & Desalting | Cryosectioning & NanoDrop Measurements | Autoclaving | Centrifugation | Microscopy

Computational:

  • Protein Design: Minibinders, VHHs, linear and cyclic peptide design

  • Molecular dynamics simulations(MDS)

  • Structural folding, co-folding and interactions

  • Crystal structure refinement and analysis

Samee’s most recent paper, Computational insights on the destabilizing mutations in the binding site of 3CL-protease SARS-CoV-2 Omicron (VOC) is now availabe at biorxiv preprint server.

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