Subha Kalyaanamoorthy

Assistant Professor

University of Waterloo

Canada

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Dr. Subha Kalyaanamoorthy is an Assistant Professor at the University of Waterloo, Canada. His research focuses on molecular modeling, specifically in areas such as protein dynamics, drug interactions, and post-translational modifications, with recent publications exploring the inhibition mechanisms of SARS-Cov-2 and therapeutic potentials in Alzheimer's Disease. His work also includes the development of automated modeling platforms and machine learning classifiers for targeted compounds.

Articles (15)

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2025

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2021

Collaborators (2)

Michael C. Levin

CANADA

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Peter Light

Professor

University of Alberta

CANADA

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Subha Kalyaanamoorthy

Research Interests

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Articles (15)

P4ward: An Automated Modeling Platform for Protac Ternary Complexes

Revealing the impact of active site residues in modeling the inhibition mechanism of SARS-Cov-2 main protease by GC373

Impact of Phosphorylation and O-GlcNAcylation on the Binding Affinity of R4 Tau Peptide to Microtubule and Its Conformational Preference upon Dissociation

Zero-shot transfer of protein sequence likelihood models to thermostability prediction

Post-Translational Modifications in Tau and Their Roles in Alzheimer's Pathology

Investigating the Theranostic Potential of Graphene Quantum Dots in Alzheimer’s Disease

QM/MM Investigation to Identify the Hallmarks of Superior PET Biodegradation Activity of PETase over Cutinase

TRPV1 channels as a newly identified target for vitamin D

GPCR_LigandClassify.py; a rigorous machine learning classifier for GPCR targeting compounds

Molecular dynamics and in silico mutagenesis on the reversible inhibitor-bound SARS-CoV-2 main protease complexes reveal the role of lateral pocket in enhancing the ligand affinity

PoseFilter: a PyMOL plugin for filtering and analyzing small molecule docking in symmetric binding sites

hnRNP A/B Proteins: An Encyclopedic Assessment of Their Roles in Homeostasis and Disease

Cardiac Late Sodium Channel Current Is a Molecular Target for the Sodium/Glucose Cotransporter 2 Inhibitor Empagliflozin

Structure-based virtual screening, molecular dynamics and binding affinity calculations of some potential phytocompounds against SARS-CoV-2

Engineering stable carbonic anhydrases for CO2 capture: a critical review

Collaborators (2)

Michael C. Levin

Peter Light

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