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 …
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 …
Mechanistic understanding from molecular dynamics in pharmaceutical research 2: lipid membrane in drug design
We review the use of molecular dynamics (MD) simulation as a drug design tool in the
context of the role that the lipid membrane can play in drug action, ie, the interaction …
context of the role that the lipid membrane can play in drug action, ie, the interaction …
Molecular recognition of RAS/RAF complex at the membrane: Role of RAF cysteine-rich domain
Activation of RAF kinase involves the association of its RAS-binding domain (RBD) and
cysteine-rich domain (CRD) with membrane-anchored RAS. However, the overall …
cysteine-rich domain (CRD) with membrane-anchored RAS. However, the overall …
Dynamics and membrane interactions of protein kinase C
TI Igumenova - Biochemistry, 2015 - ACS Publications
Protein kinase C (PKC) is a family of Ser/Thr kinases that regulate a multitude of cellular
processes through participation in the phosphoinositide signaling pathway. Significant …
processes through participation in the phosphoinositide signaling pathway. Significant …
PKCα and PKCδ: friends and rivals
JD Black, T Affandi, AR Black, ME Reyland - Journal of Biological Chemistry, 2022 - ASBMB
PKC comprises a large family of serine/threonine kinases that share a requirement for
allosteric activation by lipids. While PKC isoforms have significant homology, functional …
allosteric activation by lipids. While PKC isoforms have significant homology, functional …
Molecular dynamics simulations reveal ligand-controlled positioning of a peripheral protein complex in membranes
SM Ryckbosch, PA Wender, VS Pande - Nature communications, 2017 - nature.com
Bryostatin is in clinical trials for Alzheimer's disease, cancer, and HIV/AIDS eradication. It
binds to protein kinase C competitively with diacylglycerol, the endogenous protein kinase C …
binds to protein kinase C competitively with diacylglycerol, the endogenous protein kinase C …
It takes two to tango: activation of protein kinase D by dimerization
R Reinhardt, L Truebestein, HA Schmidt… - BioEssays, 2020 - Wiley Online Library
The recent discovery and structure determination of a novel ubiquitin‐like dimerization
domain in protein kinase D (PKD) has significant implications for its activation. PKD is a …
domain in protein kinase D (PKD) has significant implications for its activation. PKD is a …
REDOR NMR reveals multiple conformers for a protein kinase C ligand in a membrane environment
H Yang, D Staveness, SM Ryckbosch… - ACS Central …, 2018 - ACS Publications
Bryostatin 1 (henceforth bryostatin) is in clinical trials for the treatment of Alzheimer's disease
and for HIV/AIDS eradication. It is also a preclinical lead for cancer immunotherapy and …
and for HIV/AIDS eradication. It is also a preclinical lead for cancer immunotherapy and …
Anionic lipids impact RAS-binding site accessibility and membrane binding affinity of CRAF RBD-CRD
CRAF activation requires binding to membrane-anchored and active GTP-bound RAS.
Whereas its RAS-binding domain (RBD) contains the main binding interface to the RAS G …
Whereas its RAS-binding domain (RBD) contains the main binding interface to the RAS G …