NMR Spectroscopy for Biomacromolecules: Assignments & Restraints — Hands-on

Gain a practical, workflow oriented understanding of NMR spectroscopy for biomacromolecules. From experimental design and isotope labeling strategies to resonance assignments, restraint generation, structure calculation and validation, this module prepares you to read, interpret and generate NMR based structural models for proteins and nucleic acids.

NMR Spectroscopy for Biomacromolecules: Assignments & Restraints

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Session Index

Session 1 — NMR Fundamentals & Experimental Design Session 2 — Backbone & Side Chain Assignments Session 3 — Restraints, Structure Calculation & Ensembles Session 4 — Validation, Dynamics & Reporting

Session 1

Fee: Rs 8800

NMR Fundamentals & Experimental Design

NMR principles for biomacromolecules

spin, magnetization and relaxation chemical shifts and linewidths solution vs solid state overview

Sample preparation and isotope labeling strategies

15N / 13C labeling concepts deuteration overview buffer and stability considerations

Key 1D and 2D experiments for biomolecules

1D 1H, 2D COSY / TOCSY 1H–15N HSQC 1H–13C HSQC / NOESY

Session 2

Fee: Rs 11800

Backbone & Side Chain Assignments

Backbone assignment strategies for proteins

triple resonance experiments HNCA / HNCO overview CBCA (CO) NH style logic

Side chain assignments and aromatic regions

aliphatic side chain mapping aromatic ring assignments 13C edited NOESY concepts

Peak picking and assignment software workflows

peak lists and connectivity assignment validation handling ambiguous peaks

Session 3

Fee: Rs 14800

Restraints, Structure Calculation & Ensembles

Generating structural restraints from NMR data

NOE distance restraints J coupling derived dihedrals RDC and other restraints overview

Structure calculation workflows

restraint preparation simulated annealing concepts iterative refinement cycles

Ensemble analysis and convergence metrics

RMSD within ensembles restraint violation checks selection of representative models

Session 4

Fee: Rs 18800

Validation, Dynamics & Reporting

Validation of NMR structures and restraints

Theory + Practical

Solution dynamics and NMR observables

relaxation measurements overview chemical exchange concepts conformational ensembles

Deposition and figure ready reporting

BMRB and PDB deposition validation reports and checklists panels and methods text for manuscripts

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NMR Spectroscopy for Biomacromolecules: Assignments & Restraints Training | Experiments, Assignments, Structures

NMR Spectroscopy for Biomacromolecules: Assignments & Restraints — Hands-on