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Journal of Computer-Aided Molecular Design|April 23, 2025
MiR-146/TNF-α/IL-6/osteocalcin crosstalk in anti-rheumatic potential of Galleria mellonella hemolymph from computational molecular modeling to in-vivo validationSara M Ahmed, Elham Ali, Amina R Ali, et al.Journal of Computer-Aided Molecular Design|April 24, 2025
Rational molecular design of novel class-III peptidic antagonists to competitively disrupt human PPARδ self-binding peptideYue Peng, Zilong Li, Yunyi Zhang, et al.Journal of Computer-Aided Molecular Design|April 21, 2025
Deciphering the sequence-dependent unfolding pathways of an RNA pseudoknot with steered molecular dynamicsAkansha Pandit, Shubham Srivastava, Neeraj Kumar, et al.Journal of Computer-Aided Molecular Design|May 26, 2025
Multi-Omics Analysis of the virulence factors and designing of next-generation multi-epitopes Vaccines against Rickettsia prowazekii: a computer-aided vaccine designing approachFahad M AlshabrmiJournal of Computer-Aided Molecular Design|May 19, 2025
Targeting multiple pathways with virtual screening to identify the multi-target agent for Alzheimer's disease treatmentPitchayakarn Takomthong, Pornthip Waiwut, Chantana BoonyaratJournal of Computer-Aided Molecular Design|May 9, 2025
Theoretical investigation of AKT1 mutations in breast cancer: a computational approach to structural and functional insightsBalu Kamaraj, George Priya Doss CJournal of Computer-Aided Molecular Design|March 17, 2025
From closed to open: three dynamic states of membrane-bound cytochrome P450 3A4Vera A Spanke, Valentin J Egger-Hoerschinger, Veronika Ruzsanyi, et al.Journal of Computer-Aided Molecular Design|April 13, 2013
Effects of histidine protonation and rotameric states on virtual screening of M. tuberculosis RmlCMeekyum Olivia Kim, Sara E Nichols, Yi Wang, et al.Journal of Computer-Aided Molecular Design|April 18, 2013
Molecular dynamics simulations give insight into D-glucose dioxidation at C2 and C3 by Agaricus meleagris pyranose dehydrogenaseMichael M H Graf, Urban Bren, Dietmar Haltrich, et al.Journal of Computer-Aided Molecular Design|February 16, 2013
Density functional and molecular docking studies towards investigating the role of single-wall carbon nanotubes as nanocarrier for loading and delivery of pyrazinamide antitubercular drug onto pncA proteinNabanita Saikia, Sanchaita Rajkhowa, Ramesh C DekaPageof 263