G. Narahari Sastry
Orcid: 0000-0003-3181-7673
According to our database1,
G. Narahari Sastry
authored at least 28 papers
between 2005 and 2024.
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Bibliography
2024
ChatGPT in the Material Design: Selected Case Studies to Assess the Potential of ChatGPT.
J. Chem. Inf. Model., 2024
2023
Machine learning based dynamic consensus model for predicting blood-brain barrier permeability.
Comput. Biol. Medicine, June, 2023
Assessing machine learning approaches for predicting failures of investigational drug candidates during clinical trials.
Comput. Biol. Medicine, February, 2023
Comput. Biol. Chem., February, 2023
Binding propensity and selectivity of cationic, anionic, and neutral guests with model hydrophobic hosts: A first principles study.
J. Comput. Chem., January, 2023
Structure and stability of the sH binary hydrate cavity and host-guest versus guest-guest interactions therein: A DFT approach.
J. Comput. Chem., 2023
2022
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, 2022
2021
Molecular descriptor analysis of approved drugs using unsupervised learning for drug repurposing.
Comput. Biol. Medicine, 2021
2018
Molecular property diagnostic suite for diabetes mellitus (MPDS<sup>DM</sup>): An integrated web portal for drug discovery and drug repurposing.
J. Biomed. Informatics, 2018
2016
Structures and energetics of complexation of metal ions with ammonia, water, and benzene: A computational study.
J. Comput. Chem., 2016
Buckybowls as adsorbents for CO<sub>2</sub>, CH<sub>4</sub>, and C<sub>2</sub>H<sub>2</sub>: Binding and structural insights from computational study.
J. Comput. Chem., 2016
2015
Dynamics Based Pharmacophore Models for Screening Potential Inhibitors of Mycobacterial Cyclopropane Synthase.
J. Chem. Inf. Model., 2015
Energy decomposition analysis of cation-π, metal ion-lone pair, hydrogen bonded, charge-assisted hydrogen bonded, and π-π interactions.
J. Comput. Chem., 2015
2014
J. Comput. Chem., 2014
2012
Molecular Dynamics Investigation on a Series of HIV Protease Inhibitors: Assessing the Performance of MM-PBSA and MM-GBSA Approaches.
J. Chem. Inf. Model., 2012
A computational investigation and the conformational analysis of dimers, anions, cations, and zwitterions of L-phenylalanine.
J. Comput. Chem., 2012
2011
J. Chem. Inf. Model., 2011
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., 2011
Correlating Binding Site Residues of the Protein and Ligand Features to Its Functionality.
Proceedings of the Swarm, Evolutionary, and Memetic Computing, 2011
Local and Global Intrinsic Dimensionality Estimation for Better Chemical Space Representation.
Proceedings of the Multi-disciplinary Trends in Artificial Intelligence, 2011
2009
The performance of computational techniques in locating the charge separated intermediates in organocatalytic transformations.
J. Comput. Chem., 2009
2008
J. Comput. Chem., 2008
2007
J. Comput. Chem., 2007
Strategies to design pyrazolyl urea derivatives for p38 kinase inhibition: a molecular modeling study.
J. Comput. Aided Mol. Des., 2007
2006
Comput. Biol. Chem., 2006
2005
Active site acidic residues and structural analysis of modelled human aromatase: A potential drug target for breast cancer.
J. Comput. Aided Mol. Des., 2005