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Computational and Structural Biotechnology Journal|July 27, 2022
Crystallographic mining of ASK1 regulators to unravel the intricate PPI interfaces for the discovery of small moleculeAshish Kumar Agrahari, Madhu Dikshit, Shailendra AsthanaJournal of Cellular Biochemistry|April 5, 2017
A Computational Approach to Identify a Potential Alternative Drug With Its Positive Impact Toward PMP22Ashish Kumar Agrahari, George Priya Doss CHeliyon|November 6, 2019
The impact of missense mutation in PIGA associated to paroxysmal nocturnal hemoglobinuria and multiple congenital anomalies-hypotonia-seizures syndrome 2: A computational studyAshish Kumar Agrahari, Enrico Pieroni, Gianluca Gatto, et al.Molecules (Basel, Switzerland)|March 11, 2023
Rational Computational Approaches in Drug Discovery: Potential Inhibitors for Allosteric Regulation of Mutant Isocitrate Dehydrogenase-1 Enzyme in CancersMasthan Thamim, Ashish Kumar Agrahari, Pawan Gupta, et al.Mitochondrion|October 31, 2025
The evolving landscape of mitochondrial base editing: advances in precision, modeling, and therapeutic potentialPrathamesh Shelke, Sharon Tribhuvan, Ashish Kumar Agrahari, et al.Journal of Biomolecular Structure & Dynamics|March 12, 2023
SARS-CoV-2 envelope protein attain K<sub>ac</sub> mediated dynamical interaction network to adopt 'histone mimic' at BRD4 interfaceAshish Kumar Agrahari, Mitul Srivastava, Mrityunjay Singh, et al.Metabolic Brain Disease|October 20, 2017
A profound computational study to prioritize the disease-causing mutations in PRPS1 geneAshish Kumar Agrahari, P Sneha, C George Priya Doss, et al.Metabolic Brain Disease|May 28, 2018
Computational insights of K1444N substitution in GAP-related domain of NF1 gene associated with neurofibromatosis type 1 disease: a molecular modeling and dynamics approachAshish Kumar Agrahari, Meghana Muskan, C George Priya Doss, et al.Journal of Theoretical Biology|November 8, 2017
Substitution impact of highly conserved arginine residue at position 75 in GJB1 gene in association with X-linked Charcot-Marie-tooth disease: A computational studyAshish Kumar Agrahari, Amit Kumar, Siva R, et al.Journal of Biomolecular Structure & Dynamics|December 9, 2023
Crystallographic mining driven computer-guided approach to identify the ASK1 inhibitor likely to perturb the catalytic regionMohamad Haider, Shilpa Sharma, Ashish Kumar Agrahari, et al.Pageof 2