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Sai Lakshmana Vankayala
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Disaggregation is a Mechanism for Emission Turn-On of ortho-Aminomethylphenylboronic Acid-Based Saccharide Sensors
EVA Brette M. Chapin, Pedro Metola, Sai Lakshmana Vankayala, H. Lee Woodcock ...
Journal of The American Chemical Society, 2017
502017
Structure-based identification of novel ligands targeting multiple sites within a chemokine-G protein–coupled receptor interface
YC Emmanuel W. Smith, Amanda M Nevins, Zhen Qiao, Yan Liu, Anthony Edward ...
Journal of Medicinal Chemistry 59 (9), 4342–4351, 2016
302016
Substitution of Aminomethyl at the Meta-Position Enhances the Inactivation of O6-Alkylguanine-DNA Alkyltransferase by O6-Benzylguanine
GT Pauly, NA Loktionova, Q Fang, SL Vankayala, WC Guida, AE Pegg
Journal of medicinal chemistry 51 (22), 7144-7153, 2008
302008
Study on defluoridation of drinking water by impregnation of metal ions in activated charcoal
C Janardhana, GN Rao, RS Sathish, VS Lakshman
CSIR, 2006
252006
Unlocking the binding and reaction mechanism of hydroxyurea substrates as biological nitric oxide donors
SL Vankayala, JC Hargis, HL Woodcock
Journal of chemical information and modeling 52 (5), 1288-1297, 2012
222012
Thiamin Diphosphate Activation in 1-Deoxy-D-Xylulose 5-Phosphate Synthase: Insights into the Mechanism and Underlying Intermolecular Interactions
HLW Justin K. White, Sumit Handa, Sai Lakshmana Vankayala, David J. Merkler
J. Phys. Chem. B, 2016
202016
Identification of ecdysone hormone receptor agonists as a therapeutic approach for treating filarial infections
AS Mhashilkar, SL Vankayala, C Liu, F Kearns, P Mehrotra, G Tzertzinis, ...
PLoS neglected tropical diseases 10 (6), e0004772, 2016
152016
Identification and characterization of noncovalent interactions that drive binding and specificity in DD-peptidases and β-lactamases
JC Hargis, SL Vankayala, JK White, HL Woodcock
Journal of chemical theory and computation 10 (2), 855-864, 2014
132014
Elucidating a chemical defense mechanism of Antarctic sponges: A computational study
SL Vankayala, FL Kearns, BJ Baker, JD Larkin, HL Woodcock
Journal of Molecular Graphics and Modelling 71, 104-115, 2017
102017
How does catalase release nitric oxide? a computational structure–activity relationship study
SL Vankayala, JC Hargis, HL Woodcock
Journal of chemical information and modeling 53 (11), 2951-2961, 2013
102013
Modeling Boronic Acid Based Fluorescent Saccharide Sensors: Computational Investigation of d-Fructose Binding to Dimethylaminomethylphenylboronic Acid
FL Kearns, C Robart, MT Kemp, SL Vankayala, BM Chapin, EV Anslyn, ...
Journal of chemical information and modeling 59 (5), 2150-2158, 2019
52019
CIFDock: A novel CHARMM‐based flexible receptor–flexible ligand docking protocol
SL Vankayala, LC Warrensford, AR Pittman, BC Pollard, FL Kearns, ...
Journal of Computational Chemistry 43 (2), 84-95, 2022
32022
The conserved active site histidine-glutamate pair of ferrochelatase coordinately catalyzes porphyrin metalation
GCF G. A. Hunter,* S. L. Vankayala,* M. E. Gillama, F. L. Kearns, H. L. Woodcock
Journal of Porphyrins and Phthalocyanines, 2016
32016
Computational Approaches for Structure Based Drug Design and Protein Structure-Function Prediction
SL Vankayala
University of South Florida, 2013
22013
Development of a novel CHARMM-based flexible receptor-flexible ligand docking procedure
SL Vankayala, J Larkin, H Woodcock
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017
2017
Elucidating a chemical defense mechanism of Antarctic sponges
SL Vankayala, F Kearns, B Baker, H Woodcock
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 249, 2015
2015
Can peptidomimetic antibiotics overcome bacterial resistance? Elucidating molecular level binding and specificity details of DD-peptidases and beta-lactamases
JC Hargis, SL Vankayala, JK White, HL Woodcock
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 247, 2014
2014
Examining binding and reaction mechanisms of hydroxyurea as a biological nitric oxide donor using QM/MM reaction path methods
SL Vankayala, JC Hargis, F Kearns, HL Woodcock
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 247, 2014
2014
Unlocking the binding and reaction mechanism of hydroxyurea as a biological nitric oxide donor
SL Vankayala, HL Woodcock, JC Hargis
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 246, 2013
2013
Heme-based nitric oxide release: Predicting reaction mechanisms via computational structure activity relationship studies
SL Vankayala, JC Hargis, HL Woodcock
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245, 2013
2013
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