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ORCIDG. Narahari Sastry
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2020 – today
- 2024
[j26]Jyotirmoy Deb
, Lakshi Saikia, Kripa Dristi Dihingia, G. Narahari Sastry:
ChatGPT in the Material Design: Selected Case Studies to Assess the Potential of ChatGPT. J. Chem. Inf. Model. 64(3): 799-811 (2024)- 2023
- [j25]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. Comput. Biol. Chem. 102: 107799 (2023) - [j24]Lijo John, Hridoy Jyoti Mahanta, Y. Soujanya, G. Narahari Sastry:
Assessing machine learning approaches for predicting failures of investigational drug candidates during clinical trials. Comput. Biol. Medicine 153: 106494 (2023) - [j23]Bitopan Mazumdar, Pankaj Kumar Deva Sarma, Hridoy Jyoti Mahanta, G. Narahari Sastry:
Machine learning based dynamic consensus model for predicting blood-brain barrier permeability. Comput. Biol. Medicine 160: 106984 (2023) - [j22]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. J. Comput. Chem. 44(3): 432-441 (2023) - [j21]Sukanta Mondal, Gourhari Jana, Hemant Kumar Srivastava, Garikapati Narahari Sastry, Pratim Kumar Chattaraj:
Structure and stability of the sH binary hydrate cavity and host-guest versus guest-guest interactions therein: A DFT approach. J. Comput. Chem. 44(15): 1446-1453 (2023) - 2022
- [j20]Kikrusenuo Kiewhuo, Dipshikha Gogoi, Hridoy Jyoti Mahanta, Ravindra K. Rawal, Debabrata Das, G. Narahari Sastry:
North East India medicinal plants database (NEI-MPDB). Comput. Biol. Chem. 100: 107728 (2022) - [j19]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:
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 146: 105419 (2022) - 2021
- [j18]Sita Sirisha Madugula, Lijo John, Selvaraman Nagamani, Anamika Singh Gaur, Vladimir Poroikov, G. Narahari Sastry:
Molecular descriptor analysis of approved drugs using unsupervised learning for drug repurposing. Comput. Biol. Medicine 138: 104856 (2021)
2010 – 2019
- 2018
- [j17]Anamika Singh Gaur, Selvaraman Nagamani, Karunakar Tanneeru, Dmitry S. Druzhilovskiy, Anastassia V. Rudik, Vladimir Poroikov, G. Narahari Sastry:
Molecular property diagnostic suite for diabetes mellitus (MPDSDM): An integrated web portal for drug discovery and drug repurposing. J. Biomed. Informatics 85: 114-125 (2018) - 2016
- [j16]M. Althaf Hussain, Dolly Vijay, G. Narahari Sastry:
Buckybowls as adsorbents for CO2, CH4, and C2H2: Binding and structural insights from computational study. J. Comput. Chem. 37(3): 366-377 (2016) - [j15]Bhaskar Sharma, Y. Indra Neela, G. Narahari Sastry:
Structures and energetics of complexation of metal ions with ammonia, water, and benzene: A computational study. J. Comput. Chem. 37(11): 992-1004 (2016) - 2015
- [j14]Bhaskar Sharma, Hemant Kumar Srivastava, Gaddamanugu Gayatri, Garikapati Narahari Sastry:
Energy decomposition analysis of cation-π, metal ion-lone pair, hydrogen bonded, charge-assisted hydrogen bonded, and π-π interactions. J. Comput. Chem. 36(8): 529-538 (2015) - [j13]Chinmayee Choudhury, U. Deva Priyakumar, G. Narahari Sastry:
Dynamics Based Pharmacophore Models for Screening Potential Inhibitors of Mycobacterial Cyclopropane Synthase. J. Chem. Inf. Model. 55(4): 848-860 (2015) - 2014
- [j12]Uppula Purushotham, G. Narahari Sastry:
A comprehensive conformational analysis of tryptophan, its ionic and dimeric forms. J. Comput. Chem. 35(8): 595-610 (2014) - 2012
- [j11]Uppula Purushotham, Dolly Vijay, G. Narahari Sastry:
A computational investigation and the conformational analysis of dimers, anions, cations, and zwitterions of L-phenylalanine. J. Comput. Chem. 33(1): 44-59 (2012) - [j10]Hemant Kumar Srivastava, G. Narahari Sastry:
Molecular Dynamics Investigation on a Series of HIV Protease Inhibitors: Assessing the Performance of MM-PBSA and MM-GBSA Approaches. J. Chem. Inf. Model. 52(11): 3088-3098 (2012) - 2011
- [j9]Preethi Badrinarayan, G. Narahari Sastry:
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. 51(1): 115-129 (2011) - [j8]Hemant Kumar Srivastava, Mukesh Chourasia, Devesh Kumar, G. Narahari Sastry:
Comparison of Computational Methods to Model DNA Minor Groove Binders. J. Chem. Inf. Model. 51(3): 558-571 (2011) - [c2]Mohammed Hussein Shukur, T. Sobha Rani, S. Durga Bhavani, G. Narahari Sastry, Surampudi Bapi Raju:
Local and Global Intrinsic Dimensionality Estimation for Better Chemical Space Representation. MIWAI 2011: 329-338 - [c1]B. Ravindra Reddy, T. Sobha Rani, S. Durga Bhavani, Raju S. Bapi, G. Narahari Sastry:
Correlating Binding Site Residues of the Protein and Ligand Features to Its Functionality. SEMCCO (2) 2011: 166-173
2000 – 2009
- 2009
- [j7]Yin Wei, Bandaru Sateesh, Boris Maryasin, G. Narahari Sastry, Hendrik Zipse:
The performance of computational techniques in locating the charge separated intermediates in organocatalytic transformations. J. Comput. Chem. 30(16): 2617-2624 (2009) - 2008
- [j6]A. Srinivas Reddy, H. S. Durga Amarnath, Raju S. Bapi, G. Madhavi Sastry, G. Narahari Sastry:
Protein ligand interaction database (PLID). Comput. Biol. Chem. 32(5): 387-390 (2008) - [j5]Yin Wei, T. Singer, H. Mayr, G. Narahari Sastry, Hendrik Zipse:
Assessment of theoretical methods for the calculation of methyl cation affinities. J. Comput. Chem. 29(2): 291-297 (2008) - 2007
- [j4]Ravindra G. Kulkarni, Palukuri Srivani, Garlapati Achaiah, G. Narahari Sastry:
Strategies to design pyrazolyl urea derivatives for p38 kinase inhibition: a molecular modeling study. J. Comput. Aided Mol. Des. 21(4): 155-166 (2007) - [j3]B. Sateesh, A. Srinivas Reddy, G. Narahari Sastry:
Towards design of the smallest planar tetracoordinate carbon and boron systems. J. Comput. Chem. 28(1): 335-343 (2007) - 2006
- [j2]Ch. Surendhar Reddy, K. Vijayasarathy, E. Srinivas, G. Madhavi Sastry, G. Narahari Sastry:
Homology modeling of membrane proteins: A critical assessment. Comput. Biol. Chem. 30(2): 120-126 (2006) - 2005
- [j1]J. Narashima Murthy, M. Nagaraju, G. Madhavi Sastry, A. Raghuram Rao, G. Narahari Sastry:
Active site acidic residues and structural analysis of modelled human aromatase: A potential drug target for breast cancer. J. Comput. Aided Mol. Des. 19(12): 857-870 (2005)
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