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Journal of Biomolecular Structure & Dynamics|May 2, 2022
Data mining and structural analysis for multi-tissue regeneration potential of BMP-4 and activator drugsNishant Tyagi, Kirtida Gambhir, Deepak Sharma, et al.Journal of Biomolecular Structure & Dynamics|May 2, 2022
Modulation of GPCR receptors common to gut inflammatory diseases and neuronal disorders, Alzheimer's and Parkinson's diseases as druggable targets through Withania somnifera bioactives: an in silico studyRicha Shukla, Sonu Pahal, Ayushi Gupta, et al.Journal of Biomolecular Structure & Dynamics|May 3, 2022
GBP5 and ACSS3: two potential biomarkers of high-grade ovarian cancer identified through downstream analysis of microarray dataAyooshi Mitra, Shrayana Ghosh, Sayam Porey, et al.Journal of Biomolecular Structure & Dynamics|July 23, 2022
Anti-apoptotic Bcl-2 protein in apo and holo conformation anchored to the membrane: comparative molecular dynamics simulationsLuis Alberto Caro-Gómez, Jorge L Rosas-Trigueros, Edgar Mixcoha, et al.Journal of Biomolecular Structure & Dynamics|July 23, 2022
Structure based virtual screening and molecular dynamics of natural anti-biofilm compounds against SagS response regulator/sensor kinase in Pseudomonas aeruginosaSantosh Kumar Behera, Amrita Kumari Panda, Rojita Mishra, et al.Journal of Biomolecular Structure & Dynamics|July 15, 2022
Molecular modelling study to discover novel JAK2 signaling pathway inhibitorAmit Singh, Abha MishraJournal of Biomolecular Structure & Dynamics|July 15, 2022
In vitro and in silico cytotoxic activities of triterpenoids from the leaves of Aralia dasyphylla Miq. and the assessment of their ADMET propertiesHien Nguyen Thi Thu, Duyen Nguyen Huu Huong, Thuan Nguyen Thi Dieu, et al.Journal of Biomolecular Structure & Dynamics|July 15, 2022
Evaluating the accuracy of the AMBER protein force fields in modeling dihydrofolate reductase structures: misbalance in the conformational arrangements of the flexible loop domainsOlivia Love, Maria Carolina Pacheco Lima, Casey Clark, et al.Journal of Biomolecular Structure & Dynamics|July 29, 2022
Molecular dynamics simulations reveal the inhibitory mechanism of Withanolide A against α-glucosidase and α-amylaseHabeebat Adekilekun Oyewusi, Yuan-Seng Wu, Sher Zaman Safi, et al.Pageof 932