Biomolecular channels

Ebook Biomolecular simulations in structure-based drug discovery - Part 2 includes content: Ion channel simulations, understanding allostery to design new drugs, molecular dynamics applications to GPCR ligand design,…and other contents.

186p longtimenosee03 01-02-2024 0 0   Download

The thesis is structured as follows: In Chapter 1, the scientific literature is summarized within the scope of this study. Chapter 2 provides a comprehensive overview of the principles of the applied computational approaches in this study. Chapter 3 identifies the important residues of the LsIA/α7 nAChR complex that affect the interactions between the toxin and the membrane protein due to C-terminal carboxylation of LsIA. The effects of C-terminal modification of LsIA on interactions with α3β2 nAChR, involved in cardiovascular diseases, were also investigated in Chapter 4.

234p runthenight04 02-02-2023 6 2   Download

Understanding channel structures that lead to active sites or traverse the molecule is important in the study of molecular functions such as ion, ligand, and small molecule transport. Efficient methods for extracting, storing, and analyzing protein channels are required to support such studies.

19p vikentucky2711 24-11-2020 10 2   Download