User Tools

Site Tools


workshop

This is an old revision of the document!


Timeline

Deep Learning

DFT

  • DFT (by Zhang Yikan on October 11th 2025)

Molecular Dynamics

NMR Assignment

PDBLib

  • PDBLib (by Prof. Xue on October 25th 2025)
  • Nass (by Prof. Xue on December 6th 2025)

SHAPE

Tools

Older ones

Molecular Dynamics

Machine Learning

Data cleaning (From Wang Banglong)

CS prediction (From Wang Banglong)

Data (From Qiu Haoren)

Cuda Programming

NMR Textbook Chapters

Book-a: Understanding NMR Spectroscopy
Book-b: Fundamentals of Protein NMR
Book-c: Protein NMR Spectroscopy

  • Book-a: 5.1-5.3 (Fourier transformation)
  • Book-a: 5.4-5.6 (Data processing)
  • Book-a: chapter 13 (How the spectrometer works)
  • Book-a: chapter 6 (The quantum mechanics of one spin)
  • Book-a: chapter 7 (Product operators)
  • Book-a: 8.3-8.4 (COSY and DQF-COSY)
  • Book-a: 8.11; Book-b: 9.5; Book-c: 6.5 (TOCSY)
  • Book-b: Appendix D (Building Blocks of Pulse Sequences)
  • Book-b: 14.4 (Side-chain Assignment)

Pulse Sequence Analysis

  • Explain in details any pulse sequences that you think are interesting/useful

Paper Reading

Others

  • Any science-related stuff that you want to share with us
workshop.1766976400.txt.gz · Last modified: 2025/12/29 02:46 by zhangyk