Pinned Loading

1. Force-Fields Force-Fields Public

   Force Fields

   56 19

2. AR_ligand_binding AR_ligand_binding Public

   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

   Jupyter Notebook 8 1

3. Sisk_NTAIL_DeepMSM_2023 Sisk_NTAIL_DeepMSM_2023 Public

   Code accompanying "Folding-upon-binding pathways of an intrinsically disordered from a deep Markov state model" by Thomas Sisk & Paul Robustelli

   Jupyter Notebook 6 2

4. Basu_Rational_Optimization_AR_inhibitors_NSMB_2023 Basu_Rational_Optimization_AR_inhibitors_NSMB_2023 Public

   Molecular Simulation analysis code accompanying "Rational optimization of a transcription factor activation domain inhibitor" by Basu et. al.

   Jupyter Notebook

5. Borthakur_MaxEnt_IDPs_2024 Borthakur_MaxEnt_IDPs_2024 Public

   Forked from kaushikb1211/Borthakur_MaxEnt_IDPs_2024

   Code Accompanying "Towards accurate, force field independent conformational ensembles of intrinsically disordered proteins" by Borkthakur et al.

   Jupyter Notebook

6. Dhar_IDP_ensemble_docking_25 Dhar_IDP_ensemble_docking_25 Public

   Code Accompanying "Ensemble Docking for Intrinsically Disordered Proteins" by Anjali Dhar, Thomas R. Sisk and Paul Robustelli.

   Python 4 2