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Journal of Biomolecular Structure & Dynamics|January 3, 2012
Computational evidence to inhibition of human acetyl cholinesterase by withanolide a for Alzheimer treatmentAbhinav Grover, Ashutosh Shandilya, Vibhuti Agrawal, et al.Chemical Biology & Drug Design|January 23, 2014
Novel fragment-based QSAR modeling and combinatorial design of pyrazole-derived CRK3 inhibitors as potent antileishmanialsSukriti Goyal, Jaspreet K Dhanjal, Chetna Tyagi, et al.Computers in Biology and Medicine|June 16, 2026
Structural characterizations of the Mycobacterium tuberculosis AdaA-AlkA (Rv1317c) bifunctional enzyme and identification of enprofylline as a candidate synergistic DNA-repair targeting agent through integrated computational and experimental approachesRahul Sharma, Kashish Choudhary, Naveen Kumar Mehto, et al.BMC Genomics|December 15, 2010
Inhibition of the NEMO/IKKβ association complex formation, a novel mechanism associated with the NF-κB activation suppression by Withania somnifera's key metabolite withaferin AAbhinav Grover, Ashutosh Shandilya, Ankita Punetha, et al.RSC Advances|April 28, 2022
The polyphenolic phytoalexin polydatin inhibits amyloid aggregation of recombinant human prion proteinPreeti Rana Sirohi, Anchala Kumari, Nikita Admane, et al.Combinatorial Chemistry & High Throughput Screening|October 5, 2013
Mechanistic insights into mode of action of a potent natural antagonist of orexin receptor-1 by means of high throughput screening and molecular dynamics simulationsJaspreet Kaur Dhanjal, Sonam Grover, Prateek Paruthi, et al.BMC Bioinformatics|March 1, 2012
Non-nucleosidic inhibition of Herpes simplex virus DNA polymerase: mechanistic insights into the anti-herpetic mode of action of herbal drug withaferin AAbhinav Grover, Vibhuti Agrawal, Ashutosh Shandilya, et al.Journal of Molecular Modeling|March 10, 2016
Functional analysis of the binding model of microbial inulinases using docking and molecular dynamics simulationPuneet Kumar Singh, Josmi Joseph, Sukriti Goyal, et al.Journal of Biomolecular Structure & Dynamics|October 30, 2015
Fragment based G-QSAR and molecular dynamics based mechanistic simulations into hydroxamic-based HDAC inhibitors against spinocerebellar ataxiaSiddharth Sinha, Chetna Tyagi, Sukriti Goyal, et al.Combinatorial Chemistry & High Throughput Screening|September 9, 2016
Molecular Modeling and Virtual Screening Approach to Discover Potential Antileishmanial Inhibitors Against Ornithine DecarboxylaseRajan Kumar Pandey, Priyanka Prajapati, Sukriti Goyal, et al.Pageof 15