G. Narahari Sastry

27 papers Journal 25Unranked 2
YearRankTypeTitle / Venue / Authors
2025 J jnl
A systemic investigation of the phytochemical space in polyherbal formulations of India: A curated database.
Comput. Biol. Medicine
Dipshikha Gogoi, Kikrusenuo Kiewhuo, Hillul Chutia, Vaikundamani S, G. Narahari Sastry, Hridoy Jyoti Mahanta
2024 J jnl
ChatGPT in the Material Design: Selected Case Studies to Assess the Potential of ChatGPT.
J. Chem. Inf. Model.
Jyotirmoy Deb, Lakshi Saikia, Kripa Dristi Dihingia, G. Narahari Sastry
2023 J jnl
Assessing machine learning approaches for predicting failures of investigational drug candidates during clinical trials.
Comput. Biol. Medicine
Lijo John, Hridoy Jyoti Mahanta, Y. Soujanya, G. Narahari Sastry
2023 J jnl
Binding propensity and selectivity of cationic, anionic, and neutral guests with model hydrophobic hosts: A first principles study.
J. Comput. Chem.
Yenamareddy Bhargav Kumar, Anwesh Pandey, Nandan Kumar, G. Narahari Sastry
2023 J jnl
Machine learning based dynamic consensus model for predicting blood-brain barrier permeability.
Comput. Biol. Medicine
Bitopan Mazumdar, Pankaj Kumar Deva Sarma, Hridoy Jyoti Mahanta, G. Narahari Sastry
2023 J jnl
OSADHI - An online structural and analytics based database for herbs of India.
Comput. Biol. Chem.
Kikrusenuo Kiewhuo, Dipshikha Gogoi, Hridoy Jyoti Mahanta, Ravindra K. Rawal, Debabrata Das, Vaikundamani S, Esther Jamir, G. Narahari Sastry
2022 J jnl
A machine learning-based approach to determine infection status in recipients of BBV152 (Covaxin) whole-virion inactivated SARS-CoV-2 vaccine for serological surveys.
Comput. Biol. Medicine
Prateek Singh, Rajat Ujjainiya, Satyartha Prakash, Salwa Naushin, Viren Sardana, Nitin Bhatheja, Ajay Pratap Singh, Joydeb Barman, Kartik Kumar, Saurabh Gayali, Raju Khan, Birendra Singh Rawat, Karthik Bharadwaj Tallapaka, Mahesh Anumalla, Amit Lahiri, Susanta Kar, Vivek Bhosale, Mrigank Srivastava, Madhav Nilakanth Mugale, C. P. Pandey, Shaziya Khan, Shivani Katiyar, Desh Raj, Sharmeen Ishteyaque, Sonu Khanka, Ankita Rani, Promila, Jyotsna Sharma, Anuradha Seth, Mukul Dutta, Nishant Saurabh, Murugan Veerapandian, Ganesh Venkatachalam, Deepak Bansal, Dinesh Gupta, Prakash M. Halami, Muthukumar Serva Peddha, Ravindra P. Veeranna, Anirban Pal, Ranvijay Kumar Singh, Suresh Kumar Anandasadagopan, Parimala Karuppanan, Syed Nasar Rahman, Gopika Selvakumar, Venkatesan Subramanian, Malay Kumar Karmakar, Harish Kumar Sardana, Anamika Kothari, Devendra Singh Parihar, Anupma Thakur, Anas Saifi, Naman Gupta, Yogita Singh, Ritu Reddu, Rizul Gautam, Anuj Mishra, Avinash Mishra, Iranna Gogeri, Geethavani Rayasam, Yogendra Padwad, Vikram Patial, Vipin Hallan, Damanpreet Singh, Narendra Tirpude, Partha Chakrabarti, Sujay Krishna Maity, Dipyaman Ganguly, Ramakrishna Sistla, Narender Kumar Balthu, Kiran Kumar A, Siva Ranjith, B. Vijay Kumar, Piyush Singh Jamwal, Anshu Wali, Sajad Ahmed, Rekha Chouhan, Sumit G. Gandhi, Nancy Sharma, Garima Rai, Faisal Irshad, Vijay Lakshmi Jamwal, Masroor Ahmad Paddar, Sameer Ullah Khan, Fayaz Malik, Debashish Ghosh, Ghanshyam Thakkar, Saroj Kanta Barik, Prabhanshu Tripathi, Yatendra Kumar Satija, Sneha Mohanty, Md. Tauseef Khan, Umakanta Subudhi, Pradip Sen, Rashmi Kumar, Anshu Bhardwaj, Pawan Gupta, Deepak Sharma, Amit Tuli, Saumya Ray chaudhuri, Srinivasan Krishnamurthi, L. Prakash, Ch V. Rao, B. N. Singh, Arvindkumar Chaurasiya, Meera Chaurasiyar, Mayuri Bhadange, Bhagyashree Likhitkar, Sharada Mohite, Yogita Patil, Mahesh Kulkarni, Rakesh Joshi, Vaibhav Pandya, Sachin Mahajan, Amita Patil, Rachel Samson, Tejas Vare, Mahesh Dharne, Ashok Giri, Shilpa Paranjape, G. Narahari Sastry, Jatin Kalita, Tridip Phukan, Prasenjit Manna, Wahengbam Romi, Pankaj Bharali, Dibyajyoti Ozah, Ravi Kumar Sahu, Prachurjya Dutta, Moirangthem Goutam Singh, Gayatri Gogoi, Yasmin Begam Tapadar, Elapavalooru VSSK. Babu, Rajeev K. Sukumaran, Aishwarya R. Nair, Anoop Puthiyamadam, Prajeesh Kooloth Valappil, Adrash Velayudhan Pillai Prasannakumari, Kalpana Chodankar, Samir Damare, Ved Varun Agrawal, Kumardeep Chaudhary, Anurag Agrawal, Shantanu Sengupta, Debasis Dash
2022 J jnl
North East India medicinal plants database (NEI-MPDB).
Comput. Biol. Chem.
Kikrusenuo Kiewhuo, Dipshikha Gogoi, Hridoy Jyoti Mahanta, Ravindra K. Rawal, Debabrata Das, G. Narahari Sastry
2021 J jnl
Molecular descriptor analysis of approved drugs using unsupervised learning for drug repurposing.
Comput. Biol. Medicine
Sita Sirisha Madugula, Lijo John, Selvaraman Nagamani, Anamika Singh Gaur, Vladimir Poroikov, G. Narahari Sastry
2018 J jnl
Molecular property diagnostic suite for diabetes mellitus (MPDS
J. Biomed. Informatics
Anamika Singh Gaur, Selvaraman Nagamani, Karunakar Tanneeru, Dmitry S. Druzhilovskiy, Anastassia V. Rudik, Vladimir Poroikov, G. Narahari Sastry
2016 J jnl
Buckybowls as adsorbents for CO
J. Comput. Chem.
M. Althaf Hussain, Dolly Vijay, G. Narahari Sastry
2016 J jnl
Structures and energetics of complexation of metal ions with ammonia, water, and benzene: A computational study.
J. Comput. Chem.
Bhaskar Sharma, Y. Indra Neela, G. Narahari Sastry
2015 J jnl
Dynamics Based Pharmacophore Models for Screening Potential Inhibitors of Mycobacterial Cyclopropane Synthase.
J. Chem. Inf. Model.
Chinmayee Choudhury, U. Deva Priyakumar, G. Narahari Sastry
2014 J jnl
A comprehensive conformational analysis of tryptophan, its ionic and dimeric forms.
J. Comput. Chem.
Uppula Purushotham, G. Narahari Sastry
2012 J jnl
A computational investigation and the conformational analysis of dimers, anions, cations, and zwitterions of L-phenylalanine.
J. Comput. Chem.
Uppula Purushotham, Dolly Vijay, G. Narahari Sastry
2012 J jnl
Molecular Dynamics Investigation on a Series of HIV Protease Inhibitors: Assessing the Performance of MM-PBSA and MM-GBSA Approaches.
J. Chem. Inf. Model.
Hemant Kumar Srivastava, G. Narahari Sastry
2011 J jnl
Comparison of Computational Methods to Model DNA Minor Groove Binders.
J. Chem. Inf. Model.
Hemant Kumar Srivastava, Mukesh Chourasia, Devesh Kumar, G. Narahari Sastry
2011 — conf
Correlating Binding Site Residues of the Protein and Ligand Features to Its Functionality.
SEMCCO (2)
B. Ravindra Reddy, T. Sobha Rani, S. Durga Bhavani, Raju S. Bapi, G. Narahari Sastry
2011 — conf
Local and Global Intrinsic Dimensionality Estimation for Better Chemical Space Representation.
MIWAI
Mohammed Hussein Shukur, T. Sobha Rani, S. Durga Bhavani, G. Narahari Sastry, Surampudi Bapi Raju
2011 J jnl
Sequence, Structure, and Active Site Analyses of p38 MAP Kinase: Exploiting DFG-out Conformation as a Strategy to Design New Type II Leads.
J. Chem. Inf. Model.
Preethi Badrinarayan, G. Narahari Sastry
2009 J jnl
The performance of computational techniques in locating the charge separated intermediates in organocatalytic transformations.
J. Comput. Chem.
Yin Wei, Bandaru Sateesh, Boris Maryasin, G. Narahari Sastry, Hendrik Zipse
2008 J jnl
Assessment of theoretical methods for the calculation of methyl cation affinities.
J. Comput. Chem.
Yin Wei, T. Singer, H. Mayr, G. Narahari Sastry, Hendrik Zipse
2008 J jnl
Protein ligand interaction database (PLID).
Comput. Biol. Chem.
A. Srinivas Reddy, H. S. Durga Amarnath, Raju S. Bapi, G. Madhavi Sastry, G. Narahari Sastry
2007 J jnl
Strategies to design pyrazolyl urea derivatives for p38 kinase inhibition: a molecular modeling study.
J. Comput. Aided Mol. Des.
Ravindra G. Kulkarni, Palukuri Srivani, Garlapati Achaiah, G. Narahari Sastry
2007 J jnl
Towards design of the smallest planar tetracoordinate carbon and boron systems.
J. Comput. Chem.
B. Sateesh, A. Srinivas Reddy, G. Narahari Sastry
2006 J jnl
Homology modeling of membrane proteins: A critical assessment.
Comput. Biol. Chem.
Ch. Surendhar Reddy, K. Vijayasarathy, E. Srinivas, G. Madhavi Sastry, G. Narahari Sastry
2005 J jnl
Active site acidic residues and structural analysis of modelled human aromatase: A potential drug target for breast cancer.
J. Comput. Aided Mol. Des.
J. Narashima Murthy, M. Nagaraju, G. Madhavi Sastry, A. Raghuram Rao, G. Narahari Sastry