[HTML][HTML] RAS proteins and their regulators in human disease

DK Simanshu, DV Nissley, F McCormick - Cell, 2017 - cell.com
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 …

Multiscale simulations of biological membranes: the challenge to understand biological phenomena in a living substance

G Enkavi, M Javanainen, W Kulig, T Róg… - Chemical …, 2019 - ACS Publications
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 …

[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 …

KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation

TH Tran, AH Chan, LC Young, L Bindu, C Neale… - Nature …, 2021 - nature.com
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 …

Characterization of lipid–protein interactions and lipid-mediated modulation of membrane protein function through molecular simulation

MP Muller, T Jiang, C Sun, M Lihan, S Pant… - Chemical …, 2019 - ACS Publications
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 …

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 …

[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 …

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 …

Lipid-sorting specificity encoded in K-Ras membrane anchor regulates signal output

Y Zhou, P Prakash, H Liang, KJ Cho, AA Gorfe… - Cell, 2017 - cell.com
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 …

Decrypting Allostery in Membrane-Bound K-Ras4B Using Complementary In Silico Approaches Based on Unbiased Molecular Dynamics Simulations

M Castelli, F Marchetti, S Osuna… - Journal of the …, 2023 - ACS Publications
Protein functions are dynamically regulated by allostery, which enables conformational
communication even between faraway residues, and expresses itself in many forms, akin to …