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Publications by Seshan Gunalan
Proposing the Promiscuous Protein Structures in JNK1 and JNK3 for Virtual Screening in Pursuit of Potential Leads
ACS Omega
Chemistry
Chemical Engineering
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A Virtual Screening Algorithm Using Promiscuous Protein–Ligand Complexes
Seibutsu Butsuri
Are Predicted Protein Structures of Any Value for Binding Site Prediction and Virtual Ligand Screening?
Current Opinion in Structural Biology
Structural Biology
Molecular Biology
Molecular Structures Enumeration and Virtual Screening in the Chemical Space With RetroPath2.0
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Molecular Structures Enumeration and Virtual Screening in the Chemical Space With RetroPath2.0
Docking-Based Virtual Screening for Ligands of G Protein-Coupled Receptors: Not Only Crystal Structures but Also in Silico Models
Journal of Molecular Graphics and Modelling
Computer Graphics
Theoretical Chemistry
Materials Chemistry
Computer-Aided Design
Spectroscopy
Physical
The Virtual Screening of the Drug Protein With a Few Crystal Structures Based on the Adaboost-SVM
Computational and Mathematical Methods in Medicine
Genetics
Molecular Biology
Biochemistry
Applied Mathematics
Microbiology
Simulation
Immunology
Medicine
Modeling
Exploring Protein Flexibility: Incorporating Structural Ensembles From Crystal Structures and Simulation Into Virtual Screening Protocols
Journal of Physical Chemistry B
Surfaces
Theoretical Chemistry
Materials Chemistry
Films
Medicine
Coatings
Physical
Searching for New Leads to Treat Epilepsy. Target-Based Virtual Screening for the Discovery of Anticonvulsant Agents.
Journal of Chemical Information and Modeling
Computer Science Applications
Chemistry
Chemical Engineering
Library
Information Sciences
Exploration of Multiple Sortase a Protein Conformations in Virtual Screening
Scientific Reports
Multidisciplinary
