Molecular docking binding pose. by Muhammad Salehuddin Ayubee (22216364)

Binding pose of molecular docking. by Nikita Maruti Gaikwad (16839177)

An androgen antagonist decreases the levels of Rubicon and GATA4 in Sertoli cells. by Tadashi Yamamuro (6955694)

Top 10 most significant DEGs. by Foluwasomi A. Oyefeso (15999113)

Significantly Enriched Pathways. by Jiyong Zhang (2498740)

Subjects:

Scoring Conformational Metastability of Macrocyclic Peptides with Binding Pose Metadynamics by Ryan Dykstra (5418395)

“…In our benchmark calculations on macrocyclic peptide data sets where chemical modifications can be expected to influence the stability of the binding pose, our solution-state binding pose metadynamics workflow, which estimates conformational metastability of the bioactive state, agrees with more rigorous REST2 simulations while using significantly less computational resources. …”

Impact of Different Automated Binding Pose Generation Approaches on Relative Binding Free Energy Simulations by Daniel Cappel (382223)

“…We then studied the effect of binding pose generation on the accuracy of RBFE predictions using six ligand series from five pharmaceutically relevant protein targets. …”

Ribosomal protein subunit large (Rpl) and small (Rps) transcripts are expressed at decreased levels at the site of <i>L</i>. <i>major</i> infection. by Gopinath Venugopal (638444)

Differentially expressed genes (DEGs) exhibiting both increased and decreased expression levels. by Liwen Wang (276995)

Significant GO terms enriched based on the DEGs in control vs. noise groups. by Guangwei Ma (8503014)

Significant GO terms enriched based on the DEGs in control vs. noise groups. by Guangwei Ma (8503014)

Significant KEGG pathways enriched based on the DEGs in control vs. noise groups. by Guangwei Ma (8503014)

Visualisation of significantly differentially expressed genes (DEGs). by Mohammed A. Alfattah (18271622)

Redocking study showing excellent superimposition between the co-crystalized and the retrieved docking pose. by Taghreed A. Majrashi (5991263)

Summary of the effect of MPDD on SDLP across all participants, and also participants categorized by driving styles (“NS” (no significant), “+” (significant increase), and “-” (sign... by Mobina Faqani (22783963)

The 2D illustration of the docked pose of α-Ketoadipic acid in the binding pocket of the TiPDH enzyme. by Muhammad Tariq (191746)

Summary of the effect of MPDD on ART and TIBL across all participants, and also participants categorized by driving styles (“NS” (no significant), “+” (significant increase), and “... by Mobina Faqani (22783963)

The native (green) and redocked pose (red) of co-crystal ligand in the binding pocket of BACE1 protein. by Zhizhong Wang (838758)

The results of molecular docking pose interactions between compounds and proteins. by Shopnil Akash (13866545)

The number of gauging cross-sections where a statistically significant decreasing trend was identified. by Krzysztof Kochanek (835532)