This work represents an important contribution to our understanding of how membrane energetics influence protein conformation and function in mechano-sensitive channels. Through extensive molecular ...
Abstract: Molecular property prediction holds significant importance in the fields of cheminformatics and drug discovery. Current modeling paradigms used for molecular representation mainly rely on 1D ...
When running xtb 6.7.1 or xtb 6.6.1 with the command xtb --gbsa toluene --lmo --vfukui --esp inp.xyz > xtb.out, where inp.xyz is free triethylphosphine (22 atoms ...
Intrinsically Disordered Proteins (IDPs) challenge traditional structure-function paradigms by existing as dynamic ensembles rather than stable tertiary structures. Capturing these ensembles is ...
Predicting protein conformational changes remains a crucial challenge in computational biology and artificial intelligence. Breakthroughs achieved by deep learning, such as AlphaFold2, have moved the ...
1 Department of Pathology and Cell Biology, University of Montreal, Montreal, QC, Canada 2 Research Center, Maisonneuve-Rosemont Hospital, Montreal, QC, Canada C-reactive protein (CRP) is ...
Guanylate binding proteins (GBPs) are soluble dynamin-like proteins that undergo a conformational transition for GTP-controlled oligomerization and disrupt membranes of intracellular parasites to ...
Some results have been hidden because they may be inaccessible to you
Show inaccessible results
Feedback