Table of Contents
2023
2024
2025
Todo
2023
NMR restraints in amber
(by Lan Xiang on November 18th 2023)
Introduction of CPPTARJ/PYTRAJ
(by Banglong Wang on November 18th 2023)
Github Copilot
(by Yuankuan Zhang on December 2nd 2023)
Weighted Histogram Analysis Method
(by Lu Yan on December 2nd 2023)
2024
Modified residued in Amber
(by Yang Shen on January 13th 2024)
Codes representation and sofware recommendation
(by Zihang Zhou on January 13th 2024)
Reproduction of SPOTRNA
(by Haoren Qiu on March 23rd 2024)
RNA secondary structure mapping by SHAPE
(by Zhang Yikan on March 2nd 2024)
NMR assignment
(by Xu Ning on April 4th and May 11th, 2024)
2025
Use of QuShape
(by Zhang Yikan on June 14th 2025)
DFT
(by Zhang Yikan on October 11th 2025)
PDBLib
(by Prof. Xue on October 25th 2025)
Reproduction of PCANN
(by Haocheng Sun on November 22nd 2025)
Nass
(by Prof. Xue on December 6th 2025)
Reproduction of GaMD: Use GaMD to study combining of RNA and ligand
(by Yang Shen on December 27th 2025)
Todo
Protein structure prediction (1) (by Yuankuan Zhang, 20260117)
Protein structure prediction (2) (by Yuankuan Zhang, 20260131)
FEP calculation (by Yaxuan Yuan, 20260228)
Fitting methods (by Jianning Kang, 20260314)