2021

- Pyrido[3,4‐d]pyrimidine as an Acceptor of Thermally Activated Delayed Fluorescent Emitters: Time‐dependent Density Functional Theory Study, Accepted

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- Data-driven Self-Sensing Technique for Active Magnetic Bearing
International Journal of Precision Engineering and Manufacturing, Accepted

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- Prediction of Human Cytochrome P450 Inhibition Using multi-classification Deep Learning with Bio-selectivity, Submitted

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- A computational binding affinity estimation protocol with maximum utilization of experimental data : A case study for Adenosine Receptor, In preparation

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2020

- Mutation in ArgS Arginine-tRNA Synthetase Confer Additional Antibiotic Tolerance Protection to Exteneded-Spectrum-beta-Lactamase_producing Burkholderia thailandensis, DOI: 10.1128/AAC.02252-19

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- PMFF: Development of a Physics-Based Molecular Force Field for Protein Simulation and Ligand Docking, doi: 10.1021/acs.jpcb.9b10339

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- Structure Identification of Novel Compounds Using Simple IR, 1H, and 13C NMR Spectroscopy and Computational Tools, https://doi.org/10.1002/bkcs.11924

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2019

- A NCAPG2-Derived Phosphopeptide Selectively Binds to the Polo-Box Domain of PLK1 and Inhibits Cancer Cell Proliferation, https://doi.org/10.1007/s10989-018-9785-7

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2018 

- PyQSAR: A Fast QSAR Modeling Platform Using Machine Learning and Jupyter Notebook, https://doi.org/10.1002/bkcs.11638

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- Water Molecules on the Epoxide Groups of Graphene Oxide Surfaces, https://doi.org/10.1002/bkcs.11600

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2017 

- Mutations in MetG (methionyl-tRNA synthetase) and TrmD [tRNA (guanine-N1)-methyltransferase] conferring meropenem tolerance in Burkholderia thailandensis,  DOI: 10.1093/jac/dkx378

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- In Silico Development of Quorum‐Sensing Inhibitors,  

https://doi.org/10.1002/bkcs.11162

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2016

- More 

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