Garikapati N Sastry (G Narahari Sastry, G Narahari Sastry, G N Sastry)

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 26

Top Topics

Molecular Dynamics Simulations

Machine Learning

Top Venues

Journal of chemical information and modeling

Expert opinion on drug discovery

SAR and QSAR in environmental research

Journal of computational chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Jyotirmoy Deb, Lakshi Saikia, Kripa Dristi Dihingia, Garikapati N Sastry
ChatGPT in the Material Design: Selected Case Studies to Assess the Potential of ChatGPT. Journal of chemical information and modeling 64 (3) (2024)
Lipsa Priyadarsinee, Esther Jamir, Selvaraman Nagamani, Hridoy Jyoti Mahanta, Nandan Kumar, Lijo John, Himakshi Sarma, Asheesh Kumar, Anamika Singh Gaur, Rosaleen Sahoo, S Vaikundamani, Murugan Natarajan Arul, U Deva Priyakumar, Gajendra Pal Singh Raghava, Prasad V Bharatam, Ramakrishnan Parthasarathi, Venkatesan Subramanian, G Madhavi Sastry, Garikapati N Sastry
Molecular Property Diagnostic Suite for COVID-19 (MPDS COVID-19 ): an open-source disease-specific drug discovery portal. GigaByte (Hong Kong, China) 2024 (2024)
Jyotirmoy Deb, Lakshi Saikia, Kripa Dristi Dihingia, Garikapati N Sastry
ChatGPT in the Material Design: Selected Case Studies to Assess the Potential of ChatGPT. Journal of chemical information and modeling 64 (3) (2024)
Jyotirmoy Deb, Lakshi Saikia, Kripa Dristi Dihingia, Garikapati N Sastry
ChatGPT in the Material Design: Selected Case Studies to Assess the Potential of ChatGPT. Journal of chemical information and modeling (2024)
Lipsa Priyadarsinee, Esther Jamir, Selvaraman Nagamani, Hridoy Jyoti Mahanta, Nandan Kumar, Lijo John, Himakshi Sarma, Asheesh Kumar, Anamika Singh Gaur, Rosaleen Sahoo, S Vaikundamani, Murugan Natarajan Arul, U Deva Priyakumar, Gajendra Pal Singh Raghava, Prasad V Bharatam, Ramakrishnan Parthasarathi, Venkatesan Subramanian, G Madhavi Sastry, Garikapati N Sastry
Molecular Property Diagnostic Suite for COVID-19 (MPDS COVID-19 ): an open-source disease-specific drug discovery portal. GigaByte (Hong Kong, China) 2024 (2024)
Jyotirmoy Deb, Lakshi Saikia, Kripa Dristi Dihingia, Garikapati N Sastry
ChatGPT in the Material Design: Selected Case Studies to Assess the Potential of ChatGPT. Journal of chemical information and modeling 64 (3) (2024)
Jyotirmoy Deb, Lakshi Saikia, Kripa Dristi Dihingia, Garikapati N Sastry
ChatGPT in the Material Design: Selected Case Studies to Assess the Potential of ChatGPT. Journal of chemical information and modeling 64 (3) (2024)
Sukanta Mondal, Gourhari Jana, Hemant Kumar Srivastava, Garikapati N Sastry, Pratim Kumar Chattaraj
Structure and stability of the sH binary hydrate cavity and host-guest versus guest-guest interactions therein: A DFT approach. Journal of computational chemistry (2023)
Y Bhargav Kumar, Nandan Kumar, Lijo John, Hridoy Jyoti Mahanta, S Vaikundamani, Selvaraman Nagamani, G Madhavi Sastry, Garikapati N Sastry
Analyzing the cation-aromatic interactions in proteins: Cation-aromatic database V2.0. Proteins (2023)
Anamika Singh Gaur, Selvaraman Nagamani, Lipsa Priyadarsinee, Hridoy J Mahanta, Ramakrishnan Parthasarathi, Garikapati N Sastry
Galaxy for open-source computational drug discovery solutions. Expert opinion on drug discovery (2023)
Kikrusenuo Kiewhuo, Lipsa Priyadarsinee, Himakshi Sarma, Garikapati N Sastry
Molecular dynamics simulations reveal the effect of mutations in the RING domains of BRCA1-BARD1 complex and its relevance to the prognosis of breast cancer. Journal of biomolecular structure & dynamics (2023)
Purashri Basyach, Jyotirmoy Deb, Saddam Sk, Ujjwal Pal, Madhulekha Gogoi, Garikapati N Sastry, Lakshi Saikia
Controlled Ni doping on a g-C 3 N 4 /CuWO 4 photocatalyst for improved hydrogen evolution. Physical chemistry chemical physics : PCCP (2023)
Anamika Singh Gaur, Selvaraman Nagamani, Lipsa Priyadarsinee, Hridoy J Mahanta, Ramakrishnan Parthasarathi, Garikapati N Sastry
Galaxy for open-source computational drug discovery solutions. Expert opinion on drug discovery (2023)
Anamika Singh Gaur, Selvaraman Nagamani, Lipsa Priyadarsinee, Hridoy J Mahanta, Ramakrishnan Parthasarathi, Garikapati N Sastry
Galaxy for open-source computational drug discovery solutions. Expert opinion on drug discovery (2023)
Yenamareddy Bhargav Kumar, Anwesh Pandey, Nandan Kumar, Garikapati N Sastry
Binding propensity and selectivity of cationic, anionic, and neutral guests with model hydrophobic hosts: A first principles study. Journal of computational chemistry 44 (3) (2022)
Esther Jamir, Himakshi Sarma, Lipsa Priyadarsinee, Selvaraman Nagamani, Kikrusenuo Kiewhuo, Anamika Singh Gaur, Ravindra K Rawal, Natarajan Arul Murugan, Venkatesan Subramanian, Garikapati N Sastry
Applying polypharmacology approach for drug repurposing for SARS-CoV2. Journal of chemical sciences (Bangalore, India) 134 (2) (2022)
Yenamareddy Bhargav Kumar, Anwesh Pandey, Nandan Kumar, Garikapati N Sastry
Binding propensity and selectivity of cationic, anionic, and neutral guests with model hydrophobic hosts: A first principles study. Journal of computational chemistry 44 (3) (2022)
Anamika Singh Gaur, Lijo John, Nandan Kumar, M Ram Vivek, Selvaraman Nagamani, Hridoy Jyoti Mahanta, Garikapati N Sastry
Towards systematic exploration of chemical space: building the fragment library module in molecular property diagnostic suite. Molecular diversity (2022)
Lipsa Priyadarsinee, Himakshi Sarma, Garikapati N 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 (Bangalore, India) 134 (4) (2022)
Himakshi Sarma, Garikapati N 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 (34) (2022)
Sita Sirisha Madugula, Selvaraman Nagamani, Esther Jamir, Lipsa Priyadarsinee, Garikapati N Sastry
Drug repositioning for anti-tuberculosis drugs: an in silico polypharmacology approach. Molecular diversity (2021)
Nandan Kumar, Himakshi Sarma, Garikapati N Sastry
Repurposing of approved drug molecules for viral infectious diseases: a molecular modelling approach. Journal of biomolecular structure & dynamics (2021)
Selvaraman Nagamani, Garikapati N Sastry
Mycobacterium tuberculosis Cell Wall Permeability Model Generation Using Chemoinformatics and Machine Learning Approaches. ACS omega 6 (27) (2021)
S Nagamani, A S Gaur, K Tanneeru, G Muneeswaran, S S Madugula, Mpds Consortium, D S Druzhilovskiy, Vladimir V Poroikov, Garikapati N Sastry
Molecular property diagnostic suite (MPDS): Development of disease-specific open source web portals for drug discovery. SAR and QSAR in environmental research 28 (11) (2018)
K A Murtazalieva, D S Druzhilovskiy, Rajesh Kumar Goel, Garikapati N Sastry, Vladimir V Poroikov
How good are publicly available web services that predict bioactivity profiles for drug repurposing? SAR and QSAR in environmental research 28 (10) (2018)
S Janardhan, L John, M Prasanthi, Vladimir V Poroikov, Garikapati N Sastry
A QSAR and molecular modelling study towards new lead finding: polypharmacological approach to Mycobacterium tuberculosis. SAR and QSAR in environmental research 28 (10) (2018)