Post-Translational Modifications & PTM-Aware Modelling — Hands-on

Connect post-translational modifications (PTMs) to structural changes, dynamics and function. This module covers PTM biology, site prediction, mapping onto structures and building PTM-aware models for docking, dynamics and design, with reporting suitable for publications and project teams.

Post-Translational Modifications & PTM-Aware Modelling

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Session Index

Session 1 — PTM Biology, Types & Structural Context Session 2 — PTM Site Prediction & Structure Mapping Session 3 — PTMs in Modelling, Docking & Dynamics Session 4 — PTM-Aware Design, Interpretation & Reporting

Session 1

Fee: Rs 25800

PTM Biology, Types & Structural Context

PTM classes and functional roles

phosphorylation, acetylation, methylation ubiquitylation and SUMOylation glycosylation and lipidation overview

PTMs in sequence and structure space

motifs and local sequence context surface exposure and disorder interfaces, active sites and hotspots

Conformational and interaction effects of PTMs

charge changes and H-bond rewiring creation or removal of docking sites examples from signalling and regulation

Session 2

Fee: Rs 29800

PTM Site Prediction & Structure Mapping

PTM databases and evidence levels

curated vs predicted PTM sites evidence from MS and literature isoform and species considerations

Sequence-based PTM site prediction concepts

motif and ML-based predictors balancing sensitivity and specificity filtering with structural context

Mapping PTM sites onto 3D structures

residue-level mapping on PDB/AlphaFold surface, interface and pocket locations visualization and annotation strategies

Session 3

Fee: Rs 33800

PTMs in Modelling, Docking & Dynamics

Building PTM-bearing structural models

introducing PTMs on side chains parameter and topology considerations local minimization and relaxation

PTM-aware docking concepts

PTMs at interfaces and binding sites electrostatic and steric impacts comparing modified vs unmodified binding

MD and dynamics with PTMs

stability and flexibility readouts allosteric and long-range effects interpreting differences across states

Session 4

Fee: Rs 36800

PTM-Aware Design, Interpretation & Reporting

Design and mutational strategies around PTMs

phospho-mimetic and phospho-null changes blocking vs enabling PTMs interpretation for experimental design

Integrating PTM-aware models with omics data

linking to phosphoproteomics and glycoproteomics pathway and network context prioritizing PTM sites for follow-up

Deliverables: PTM-aware structural report & figures

annotated structures and maps comparative views (modified vs unmodified) mechanistic and design-ready narrative

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Post-Translational Modifications & PTM-Aware Modelling Training | PTM Mapping, Structural Impact & Design

Post-Translational Modifications & PTM-Aware Modelling — Hands-on