Subha Kalyaanamoorthy
Subha Kalyaanamoorthy
Assistant Professor, Department of Chemistry, University of Waterloo
Verified email at uwaterloo.ca
Title
Cited by
Cited by
Year
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
35442017
Structure-based drug design to augment hit discovery
S Kalyaanamoorthy, YPP Chen
Drug discovery today 16 (17-18), 831-839, 2011
2422011
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
522014
Development of safe drugs: the hERG challenge
S Kalyaanamoorthy, KH Barakat
Medicinal research reviews 38 (2), 525-555, 2018
492018
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
442013
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
382012
A steered molecular dynamics mediated hit discovery for histone deacetylases
S Kalyaanamoorthy, YPP Chen
Physical Chemistry Chemical Physics 16 (8), 3777-3791, 2014
232014
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
222013
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
212017
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
192018
Ligand release mechanisms and channels in histone deacetylases
S Kalyaanamoorthy, YPP Chen
Journal of computational chemistry 34 (26), 2270-2283, 2013
192013
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
172008
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
142020
L-type calcium channels: structure and functions
T Feng, S Kalyaanamoorthy, K Barakat
Ion Channels in Health and Sickness 77305, 2018
142018
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
102019
AJAX Interface: a breakthrough in bioinformatics web applications
G Aravindhan, GR Kumar, RS Kumar, K Subha
Proteomics Insights 2, PRI. S2261, 2009
102009
AIM-BLAST-AJAX interfaced multisequence blast
G Aravindhan, RS Kumar, K Subha, TK Subazini, A Dey, K Kant, ...
Proteomics Insights 2, PRI. S2260, 2009
82009
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
72021
A novel strategy for mechanism based computational drug discovery
K Subha, GR Kumar, R Rajalakshmi, G Aravindhan
Biomarkers in cancer 2, BIC. S3720, 2010
52010
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), 1-18, 2020
42020
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Articles 1–20