Pinned Repositories
AR_ligand_binding
Code Accompanying "Small Molecules Targeting the Disordered Transactivation Domain of the Androgen Receptor Induce the Formation of Collapsed Helical States" by Zhu, Salvatella, and Robustelli
asyn_calcs
Basu_Rational_Optimization_AR_inhibitors_NSMB_2023
Molecular Simulation analysis code accompanying "Rational optimization of a transcription factor activation domain inhibitor" by Basu et. al.
CHEM101.6
CHEM101.6_S24
Materials for "Computational Methods in Chemistry & Biophysics" Graduate Class
Force-Fields
Force Fields
python_demos
robustelli-lab.github.io
Robustelli Lab website
Sisk_NTAIL_DeepMSM_2023
Code accompanying "Folding-upon-binding pathways of an intrinsically disordered from a deep Markov state model" by Thomas Sisk & Paul Robustelli
tSNE
t-SNE
paulrobustelli's Repositories
paulrobustelli/CHEM101.6
paulrobustelli/Force-Fields
Force Fields
paulrobustelli/AR_ligand_binding
Code Accompanying "Small Molecules Targeting the Disordered Transactivation Domain of the Androgen Receptor Induce the Formation of Collapsed Helical States" by Zhu, Salvatella, and Robustelli
paulrobustelli/Sisk_NTAIL_DeepMSM_2023
Code accompanying "Folding-upon-binding pathways of an intrinsically disordered from a deep Markov state model" by Thomas Sisk & Paul Robustelli
paulrobustelli/asyn_calcs
paulrobustelli/CHEM101.6_S24
Materials for "Computational Methods in Chemistry & Biophysics" Graduate Class
paulrobustelli/python_demos
paulrobustelli/robustelli-lab.github.io
Robustelli Lab website
paulrobustelli/tSNE
t-SNE
paulrobustelli/Basu_Rational_Optimization_AR_inhibitors_NSMB_2023
Molecular Simulation analysis code accompanying "Rational optimization of a transcription factor activation domain inhibitor" by Basu et. al.
paulrobustelli/singularity_builds
Singularity Builds
paulrobustelli/Training_Demos
paulrobustelli/Writhe
Writhe Calculations