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Browsing by Published In Journal of Biomolecular Structure and Dynamics

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Showing results 1 to 15 of 15
Issue DateTitleAuthor(s)
2017A. baumannii histone acetyl transferase Hpa2: optimization of homology modeling, analysis of protein–protein interaction and virtual screeningTomar J.S.; Peddinti, Rama Krishna
2020Antagonistic interaction between TTA-A2 and paclitaxel for anti-cancer effects by complex formation with T-type calcium channelKumari N.; Dalal V.; Kumar, Pravindra R.Manish; Rath S.N.
2014Comparative molecular dynamics simulation studies for determining factors contributing to the thermostability of chemotaxis protein "cheY"Paul M.; Hazra M.; Barman A.; Hazra, Saugata
2020Computational guided identification of novel potent inhibitors of N-terminal domain of nucleocapsid protein of severe acute respiratory syndrome coronavirus 2Dhankhar P.; Dalal V.; Singh V.; Tomar, Shailly; Kumar, Pravindra R.Manish
2017Conformer and pharmacophore based identification of peptidomimetic inhibitors of Chikungunya virus NSP2 proteaseDhindwal S.; Kesari P.; Singh H.; Kumar, Pravindra R.Manish; Tomar, Shailly
2020Exploration of interaction mechanism of tyrosol as a potent anti-inflammatory agentYadav T.C.; Kumar N.; Raj U.; Goel N.; Vardawaj P.K.; Prasad, Ramasare A.; Pruthi V.
2021In silico identification and characterization of small-molecule inhibitors specific to RhoG/Rac1 signaling pathwayDipankar P.; Kumar P.; Sarangi, Pranita P.
2021In silico modeling revealed new insights into the mechanism of action of enzyme 2'-5'-oligoadenylate synthetase in cattleJunghare V.; Alex R.; Baidya A.; Paul M.; Alyethodi R.R.; Sengar G.S.; Kumar S.; Singh U.; Deb R.; Hazra, Saugata
2021In-silico screening and identification of potential inhibitors against 2Cys peroxiredoxin of Candidatus Liberibacter asiaticusGupta D.N.; Dalal V.; Savita B.K.; Dhankhar P.; Ghosh D.K.; Kumar, Pravindra R.Manish; Sharma, Ashwani Kumar
2021MD simulation and MM/PBSA identifies phytochemicals as bifunctional inhibitors of SARS-CoV-2Sharma M.; Mahto J.K.; Dhaka P.; Neetu N.; Tomar, Shailly; Kumar, Pravindra R.Manish
2019Molecular modeling, simulation and principal component analysis of binding of resveratrol and its analogues with DNANair, Maya S.; Shukla A.
2014NMR-based structure of anticancer drug mitoxantrone stacked with terminal base pair of DNA hexamer sequence d-(ATCGAT) 2Dogra S.; Awasthi P.; Tripathi S.; Pradeep T.P.; Nair, Maya S.; Barthwal, Ritu.
2003Structure of dna hexamer sequence d-cgatcg by two-dimensional nuclear magnetic resonance spectroscopy and restrained molecular dynamicsBarthwal, Ritu.; Monica M.; Awasthi P.; Srivastava N.; Sharma U.; Kaur M.; Govil G.
2021Synthesis, characterization, and in silico studies of 1,8-naphthyridine derivatives as potential anti-Parkinson’s agentsOjha M.; Kumar A.; Prasun C.; Nair, Maya S.; Chaturvedi S.; Paliwal S.K.; Nain S.
2021Understanding structure-based dynamic interactions of antihypertensive peptides extracted from food sourcesKalyan G.; Junghare V.; Bhattacharya S.; Hazra, Saugata