Brownian dynamics simulations of biological molecules
GA Huber, JA McCammon - Trends in chemistry, 2019 - cell.com
Brownian dynamics (BD) is a technique for carrying out computer simulations of physical
systems that are driven by thermal fluctuations. Biological systems at the macromolecular …
systems that are driven by thermal fluctuations. Biological systems at the macromolecular …
Brownian dynamics simulations of biomolecular diffusional association processes
A Muñiz‐Chicharro, LW Votapka… - Wiley …, 2023 - Wiley Online Library
Brownian dynamics (BD) is a computational method to simulate molecular diffusion
processes. Although the BD method has been developed over several decades and is well …
processes. Although the BD method has been developed over several decades and is well …
Structural analyses of the PKA RIIβ holoenzyme containing the oncogenic DnaJB1-PKAc fusion protein reveal protomer asymmetry and fusion-induced allosteric …
When the J-domain of the heat shock protein DnaJB1 is fused to the catalytic (C) subunit of
cAMP-dependent protein kinase (PKA), replacing exon 1, this fusion protein, JC subunit …
cAMP-dependent protein kinase (PKA), replacing exon 1, this fusion protein, JC subunit …
Two PKA RIα holoenzyme states define ATP as an isoform-specific orthosteric inhibitor that competes with the allosteric activator, cAMP
Protein kinase A (PKA) holoenzyme, comprised of a cAMP-binding regulatory (R)-subunit
dimer and 2 catalytic (C)-subunits, is the master switch for cAMP-mediated signaling. Of the …
dimer and 2 catalytic (C)-subunits, is the master switch for cAMP-mediated signaling. Of the …
Structures of the PKA RIα holoenzyme with the FLHCC driver J-PKAcα or wild-type PKAcα
B Cao, TW Lu, JAM Fiesco, M Tomasini, L Fan… - Structure, 2019 - cell.com
Fibrolamellar hepatocellular carcinoma (FLHCC) is driven by J-PKAcα, a kinase fusion
chimera of the J domain of DnaJB1 with PKAcα, the catalytic subunit of protein kinase A …
chimera of the J domain of DnaJB1 with PKAcα, the catalytic subunit of protein kinase A …
Salting up of proteins at the air/water interface
Y Li, M Shrestha, M Luo, I Sit, M Song, VH Grassian… - Langmuir, 2019 - ACS Publications
Vibrational sum frequency generation (VSFG) spectroscopy and surface pressure
measurements are used to investigate the adsorption of a globular protein, bovine serum …
measurements are used to investigate the adsorption of a globular protein, bovine serum …
Switching of the folding-energy landscape governs the allosteric activation of protein kinase A
JP England, Y Hao, L Bai, V Glick… - Proceedings of the …, 2018 - National Acad Sciences
Protein kinases are dynamic molecular switches that sample multiple conformational states.
The regulatory subunit of PKA harbors two cAMP-binding domains [cyclic nucleotide-binding …
The regulatory subunit of PKA harbors two cAMP-binding domains [cyclic nucleotide-binding …
[HTML][HTML] Amyloid-Driven Allostery
The fields of allostery and amyloid-related pathologies, such as Parkinson's disease (PD),
have been extensively explored individually, but less is known about how amyloids control …
have been extensively explored individually, but less is known about how amyloids control …
Adenylate control in cAMP signaling: implications for adaptation in signalosomes
NK Tulsian, A Ghode, GS Anand - Biochemical Journal, 2020 - portlandpress.com
In cAMP-Protein Kinase A (PKA) signaling, A-kinase anchoring protein scaffolds assemble
PKA in close proximity to phosphodiesterases (PDE), kinase-substrates to form signaling …
PKA in close proximity to phosphodiesterases (PDE), kinase-substrates to form signaling …
Simulations of PKA RIα Homodimer Reveal cAMP-coupled Conformational Dynamics of Each Protomer and the Dimer Interface with Functional Implications
X Chen, C Guo - Physical Chemistry Chemical Physics, 2024 - pubs.rsc.org
Protein kinase A (PKA) is a ubiquitous cAMP-dependent enzyme in mammalian tissues. The
inactive PKA holoenzyme disassociates into a homodimer of regulatory (R) subunits and two …
inactive PKA holoenzyme disassociates into a homodimer of regulatory (R) subunits and two …