Subha Kalyaanamoorthy
Subha Kalyaanamoorthy
Assistant Professor, Department of Chemistry, University of Waterloo
Verified email at
Cited by
Cited by
ModelFinder: fast model selection for accurate phylogenetic estimates
S Kalyaanamoorthy, BQ Minh, TKF Wong, A Von Haeseler, LS Jermiin
Nature methods 14 (6), 587-589, 2017
Structure-based drug design to augment hit discovery
S Kalyaanamoorthy, YPP Chen
Drug discovery today 16 (17-18), 831-839, 2011
Development of safe drugs: the hERG challenge
S Kalyaanamoorthy, KH Barakat
Medicinal research reviews 38 (2), 525-555, 2018
Cardiac late sodium channel current is a molecular target for the sodium/glucose cotransporter 2 inhibitor empagliflozin
K Philippaert, S Kalyaanamoorthy, M Fatehi, W Long, S Soni, NJ Byrne, ...
Circulation 143 (22), 2188-2204, 2021
Modelling and enhanced molecular dynamics to steer structure-based drug discovery
S Kalyaanamoorthy, YPP Chen
Progress in biophysics and molecular biology 114 (3), 123-136, 2014
Energy based pharmacophore mapping of HDAC inhibitors against class I HDAC enzymes
S Kalyaanamoorthy, YPP Chen
Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1834 (1), 317-328, 2013
Exploring inhibitor release pathways in histone deacetylases using random acceleration molecular dynamics simulations
S Kalyaanamoorthy, YPP Chen
Journal of chemical information and modeling 52 (2), 589-603, 2012
Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
M Wilding, TS Peat, S Kalyaanamoorthy, J Newman, C Scott, LS Jermiin
Green Chemistry 19 (22), 5375-5380, 2017
A minimum reporting standard for multiple sequence alignments
TKF Wong, S Kalyaanamoorthy, K Meusemann, DK Yeates, B Misof, ...
NAR Genomics and Bioinformatics 2 (2), lqaa024, 2020
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
YL Weng, SR Naik, N Dingelstad, MR Lugo, S Kalyaanamoorthy, ...
Scientific Reports 11 (1), 7429, 2021
L-type calcium channels: structure and functions
T Feng, S Kalyaanamoorthy, K Barakat
Ion Channels in Health and Sickness 77305, 2018
A steered molecular dynamics mediated hit discovery for histone deacetylases
S Kalyaanamoorthy, YPP Chen
Physical Chemistry Chemical Physics 16 (8), 3777-3791, 2014
Quantum polarized ligand docking investigation to understand the significance of protonation states in histone deacetylase inhibitors
S Kalyaanamoorthy, YPP Chen
Journal of Molecular Graphics and Modelling 44, 44-53, 2013
Binding modes of hERG blockers: an unsolved mystery in the drug design arena
S Kalyaanamoorthy, KH Barakat
Expert Opinion on Drug Discovery 13 (3), 207-210, 2018
hnRNP A/B proteins: an encyclopedic assessment of their roles in homeostasis and disease
PA Thibault, A Ganesan, S Kalyaanamoorthy, JPWE Clarke, HE Salapa, ...
Biology 10 (8), 712, 2021
A structure-based computational workflow to predict liability and binding modes of small molecules to hERG
S Kalyaanamoorthy, SM Lamothe, X Hou, TC Moon, HT Kurata, ...
Scientific reports 10 (1), 16262, 2020
Ligand release mechanisms and channels in histone deacetylases
S Kalyaanamoorthy, YPP Chen
Journal of computational chemistry 34 (26), 2270-2283, 2013
Assessment for the identification of better HDAC inhibitor class through binding energy calculations and descriptor analysis
K Subha, GR Kumar
Bioinformation 3 (5), 218, 2008
Atomistic modeling and molecular dynamics analysis of human CaV1. 2 channel using external electric field and ion pulling simulations
T Feng, S Kalyaanamoorthy, A Ganesan, K Barakat
Biochimica et Biophysica Acta (BBA)-General Subjects 1863 (6), 1116-1126, 2019
Structure-based virtual screening, molecular dynamics and binding affinity calculations of some potential phytocompounds against SARS-CoV-2
SR Naik, P Bharadwaj, N Dingelstad, S Kalyaanamoorthy, SC Mandal, ...
Journal of Biomolecular Structure and Dynamics 40 (15), 6921-6938, 2022
The system can't perform the operation now. Try again later.
Articles 1–20