S.No.	Authors	Title	Journal	Volume	Pages	Year
1	#LIPSA PRIYADARSINEE#HIMAKSHI SARMA#G NARAHARI SASTRY	Glycoprotein attachment with host cell surface receptor ephrin B2 and B3 in mediating entry of nipah and hendra virus: a computational investigation	Journal of Chemical Sciences	134	114	2022
2	#Himakshi Sarma#G. Narahari Sastry	A Computational Study on the Interaction of NSP10 and NSP14 Unraveling the RNA Synthesis Proofreading Mechanism in SARS-CoV-2, SARS-CoV, and MERS-CoV	ACS Omega	7	29995	2022
3	#Himakshi Sarma#Esther Jamir#G. Narahari Sastry	Protein-protein interaction of RdRp with its co-factor NSP8 and NSP7 to decipher the interface hotspot residues for drug targeting: A comparison between SARS-CoV-2 and SARS-CoV	Journal of Molecular Structure	1257	132602	2022
4	#Kiewhuo, Kikrusenuo#Gogoi, Dipshikha#Mahanta, Hridoy Jyoti#Rawal, Ravindra K.#Das, Debabrata#Sastry, G. Narahari	North East India medicinal plants database (NEI-MPDB)	Computational biology and chemistry	100	107728	2022
5	#ESTHER JAMIR#HIMAKSHI SARMA#LIPSA PRIYADARSINEE#SELVARAMAN NAGAMANI#KIKRUSENUO KIEWHUO#ANAMIKA SINGH GAUR#RAVINDRA K RAWAL#NATARAJAN ARUL MURUGAN#VENKATESAN SUBRAMANIAN#G NARAHARI SASTRY	Applying polypharmacology approach for drug repurposing for SARS-CoV2	Journal of Chemical Sciences	134	57	2022
6	#Esther Jamir#Kikrusenuo Kiewhuo#Lipsa Priyadarsinee#Himakshi Sarma#Selvaraman Nagamani#G Narahari Sastry	Structure-function relationships among selected human coronaviruses	Indian Journal of Biochemistry & Biophysics	59	536	2022
7	#Selvaraman Nagamani#Lavi Jaiswal#G. Narahari Sastry	Deciphering the importance of MD descriptors in designing Vitamin D Receptor agonists and antagonists using machine learning	Journal of Molecular Graphics and Modelling	118	108346	2023
8	#Selvaraman Nagamani#G. Narahari Sastry	Mycobacterium tuberculosis Cell Wall Permeability Model Generation Using Chemoinformatics and Machine Learning Approaches	ACS Omega	6	17472	2021
9	#Anamika Singh Gaur#Lijo John#Nandan Kumar#M. Ram Vivek#Selvaraman Nagamani#Hridoy Jyoti Mahanta#G. Narahari Sastry	Towards systematic exploration of chemical space: building the fragment library module in molecular property diagnostic suite	Molecular Diversity	4	1	2022
10	#Lijo John#Hridoy Jyoti Mahanta#Y. Soujanya#G. Narahari Sastry	Assessing machine learning approaches for predicting failures of investigational drug candidates during clinical trials	Computers in Biology and Medicine	153	106494	2023
11	#Hridoy Jyoti Mahanta#G. Narahari Sastry	COVID-19 impact on socio-economic and health interventions : A gaps and peaks analysis using clustering approach	Journal of Statistics & Management Systems	25	2123	2022
12	#Kikrusenuo Kiewhuo#Dipshikha Gogoi#Hridoy Jyoti Mahanta#Ravindra K. Rawal#Debabrata Das#Vaikundamani S#Esther Jamir#G. Narahari Sastry	OSADHI – An online structural and analytics based database for herbs of India	Computational Biology and Chemistry	102	107799	2023
13	#Yenamareddy Bhargav Kumar#Anwesh Pandey#Nandan Kumar#G. Narahari Sastry	Binding propensity and selectivity of cationic, anionic, and neutral guests with model hydrophobic hosts: A first principles study	Journal of Computational Chemistry	44	432	2023