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Table of Contents
PDBLib
PDBLib (by Prof. Xue on October 25th 2025)
DFT
DFT (by Zhang Yikan on October 11th 2025)
NMR Assignment
NMR assignment (by Xu Ning on April 4th and May 11th, 2024)
SHAPE
Use of QuShape (by Zhang Yikan on June 14th 2025)
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.1761567608.txt.gz · Last modified: 2025/10/27 12:20 by zhangyk
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