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[HTML][HTML] RAS proteins and their regulators in human disease
RAS proteins are binary switches, cycling between ON and OFF states during signal
transduction. These switches are normally tightly controlled, but in RAS-related diseases …
transduction. These switches are normally tightly controlled, but in RAS-related diseases …
Multiscale simulations of biological membranes: the challenge to understand biological phenomena in a living substance
Biological membranes are tricky to investigate. They are complex in terms of molecular
composition and structure, functional over a wide range of time scales, and characterized by …
composition and structure, functional over a wide range of time scales, and characterized by …
[HTML][HTML] The current understanding of KRAS protein structure and dynamics
T Pantsar - Computational and structural biotechnology journal, 2020 - Elsevier
One of the most common drivers in human cancer is the mutant KRAS protein. Not so long
ago KRAS was considered as an undruggable oncoprotein. After a long struggle, however …
ago KRAS was considered as an undruggable oncoprotein. After a long struggle, however …
KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation
The first step of RAF activation involves binding to active RAS, resulting in the recruitment of
RAF to the plasma membrane. To understand the molecular details of RAS-RAF interaction …
RAF to the plasma membrane. To understand the molecular details of RAS-RAF interaction …
Characterization of lipid–protein interactions and lipid-mediated modulation of membrane protein function through molecular simulation
The cellular membrane constitutes one of the most fundamental compartments of a living
cell, where key processes such as selective transport of material and exchange of …
cell, where key processes such as selective transport of material and exchange of …
Mutation-induced impacts on the switch transformations of the GDP-and GTP-bound K-ras: Insights from multiple replica Gaussian accelerated molecular dynamics …
J Chen, S Zhang, W Wang, L Pang… - Journal of Chemical …, 2021 - ACS Publications
Mutations yield significant effect on the structural flexibility of two switch domains, SW1 and
SW2, in K-Ras, which is considered as an important target of anticancer drug design. To …
SW2, in K-Ras, which is considered as an important target of anticancer drug design. To …
[HTML][HTML] Exploring the computational methods for protein-ligand binding site prediction
J Zhao, Y Cao, L Zhang - Computational and structural biotechnology …, 2020 - Elsevier
Proteins participate in various essential processes in vivo via interactions with other
molecules. Identifying the residues participating in these interactions not only provides …
molecules. Identifying the residues participating in these interactions not only provides …
Plant lipids: key players of plasma membrane organization and function
AM Cassim, P Gouguet, J Gronnier, N Laurent… - Progress in Lipid …, 2019 - Elsevier
The plasma membrane (PM) is the biological membrane that separates the interior of all
cells from the outside. The PM is constituted of a huge diversity of proteins and lipids. In this …
cells from the outside. The PM is constituted of a huge diversity of proteins and lipids. In this …
Lipid-sorting specificity encoded in K-Ras membrane anchor regulates signal output
K-Ras is targeted to the plasma membrane by a C-terminal membrane anchor that
comprises a farnesyl-cysteine-methyl-ester and a polybasic domain. We used quantitative …
comprises a farnesyl-cysteine-methyl-ester and a polybasic domain. We used quantitative …
Decrypting Allostery in Membrane-Bound K-Ras4B Using Complementary In Silico Approaches Based on Unbiased Molecular Dynamics Simulations
Protein functions are dynamically regulated by allostery, which enables conformational
communication even between faraway residues, and expresses itself in many forms, akin to …
communication even between faraway residues, and expresses itself in many forms, akin to …