Pinned Repositories
CoDe-DTI
CoDe-DTI: Collaborative Deep Learning-based Drug-Target Interaction Predictior
GARGOYLES
IEV2Mol
mermaid
MMGBSA-CEN-BXM
Supplimentary materials for "Molecular Dynamics Simulation reveals the mechanism by which the Influenza Cap-dependent Endonuclease acquires resistance against Baloxavir marboxil"
Mothra
retrosynthesizability_prediction_models
SARS-CoV-2_Mpro_structures
SARS-CoV-2_Mpro_structures. Provisional Paper Title "Identification of key interactions between SARS-CoV-2 Main Protease and inhibitor drug candidates"
SARS-CoV-2_RdRp_structures
SARS-CoV-2_RdRp_structures
SIEVE-Score
SIEVE-Score: interaction energy-based virtual screening method based on random forest.
Sekijima Laboratory, Tokyo Institute of Technology's Repositories
sekijima-lab/SIEVE-Score
SIEVE-Score: interaction energy-based virtual screening method based on random forest.
sekijima-lab/mermaid
sekijima-lab/GARGOYLES
sekijima-lab/Mothra
sekijima-lab/CoDe-DTI
CoDe-DTI: Collaborative Deep Learning-based Drug-Target Interaction Predictior
sekijima-lab/IEV2Mol
sekijima-lab/retrosynthesizability_prediction_models
sekijima-lab/SARS-CoV-2_Mpro_structures
SARS-CoV-2_Mpro_structures. Provisional Paper Title "Identification of key interactions between SARS-CoV-2 Main Protease and inhibitor drug candidates"
sekijima-lab/MMGBSA-CEN-BXM
Supplimentary materials for "Molecular Dynamics Simulation reveals the mechanism by which the Influenza Cap-dependent Endonuclease acquires resistance against Baloxavir marboxil"
sekijima-lab/SARS-CoV-2_RdRp_structures
SARS-CoV-2_RdRp_structures
sekijima-lab/HoloMol
sekijima-lab/Mpro-docked-structure
sekijima-lab/RBP_CAMAS
sekijima-lab/TRACER