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Journal of Biomolecular Structure & Dynamics|May 9, 2024
Anti-HSV activity of nectin-1-derived peptides targeting HSV gD: an in-silico and in-vitro approachRakesh Rahangdale, Parnavi Ghormode, Tenzin Tender, et al.Journal of Biomolecular Structure & Dynamics|May 3, 2024
A unique approach for protein secondary structure comparison under TOPS representationDebrupa Pal, Sudeshna Dey, Papri Ghosh, et al.Journal of Biomolecular Structure & Dynamics|April 24, 2024
Comparison study (experimental and theoretical), hydrogen bond interaction through water, donor acceptor investigation and molecular docking study of 3,3-((1,2-phenylenebis (azaneylylidene)) bis (methaneylylidene)) diphenolN Elangovan, Munusamy Thirumavalavan, T Sankar Ganesan, et al.Journal of Biomolecular Structure & Dynamics|April 26, 2024
Predictive insights into plant-based compounds as fibroblast growth factor receptor 1 inhibitors: a combined molecular docking and dynamics simulation studyMohammad Ali Abdullah Almoyad, Shadma Wahab, Mohammed Nazam Ansari, et al.Journal of Biomolecular Structure & Dynamics|April 25, 2024
Fungal alkaloid malbrancheamide reorients the lipid binding domain of GRK5Shivani Yaduvanshi, Veerendra KumarJournal of Biomolecular Structure & Dynamics|April 9, 2024
Prediction of deleterious non-synonymous SNPs of TMPRSS2 protein combined with Molecular Dynamics Simulations and free energy analysis to identify the potential peptide substrates against SARS-CoV-2Balajee Ramachandran, Ahmed Nadeem, Aruchamy Mohanprasanth, et al.Journal of Biomolecular Structure & Dynamics|October 18, 2023
Prediction of molecular interaction of Phosphodiesterase 10A inhibition by natural compounds: insights from structure-based screening and molecular dynamics simulationsSaad Ali Alshehri, Abdulrhman Alsayari, Shadma Wahab, et al.Journal of Biomolecular Structure & Dynamics|October 19, 2023
Identification of novel small molecule inhibitors for solute carrier SGLT1; a computational explorationSajjad Haider, Mamona Mushtaq, Mohammad Nur-E-Alam, et al.Journal of Biomolecular Structure & Dynamics|October 23, 2023
Integrated molecular modeling and dynamics approaches revealed the mechanism of selective inhibition of HDAC6/8Yaxin Li, Sisi Liu, Ximing Xu, et al.Journal of Biomolecular Structure & Dynamics|October 19, 2023
Computational designing of the ligands of Protein L affinity chromatography based on molecular docking and molecular dynamics simulationsSaman Rahmati, Kowsar Bagherzadeh, Seyed Shahriar Arab, et al.Pageof 932