Results 71 to 80 of about 7,119,113 (404)

Molecular insights into the modulation of the 5HT2A receptor by serotonin, psilocin, and the G protein subunit Gqα

open access: yesFEBS Letters, Volume 599, Issue 6, Page 876-891, March 2025.
We explore 5HT2A receptor activation, a key target for psychedelic drugs, using molecular dynamics simulations. Without Gqα, the active receptor collapses to an inactive conformation, underscoring the G‐protein's role. Discovery of an intermediate “partially‐open” state and the higher affinity of ligands to the orthosteric binding site provides ...
Niklas Viohl   +2 more
wiley   +1 more source

Dynamical coupling between protein conformational fluctuation and hydration water: Heterogeneous dynamics of biological water

open access: yes, 2017
We investigate dynamical coupling between water and amino acid side-chain residues in solvation dynamics by selecting residues often used as natural probes, namely tryptophan, tyrosine and histidine, located at different positions on protein surface and ...
Bagchi, Biman   +2 more
core   +1 more source

Investigating nano-structuring within imidazolium ionic liquids: A thermodynamic study using photochromic molecular probes [PDF]

open access: yes, 2009
Following previous studies involving the thermal relaxation of spirocyclic compounds we extended our studies to investigate the formation of nano-structured domains in ionic liquids (ILs).
Byrne, Robert   +3 more
core   +1 more source

Long-range intra-protein communication can be transmitted by correlated side-chain fluctuations alone. [PDF]

open access: yesPLoS Computational Biology, 2011
Allosteric regulation is a key component of cellular communication, but the way in which information is passed from one site to another within a folded protein is not often clear.
Kateri H Dubay   +2 more
doaj   +1 more source

Isotropy Properties of the Multi-Step Markov Symbolic Sequences [PDF]

open access: yes, 2006
A new object of the probability theory, the two-sided chain of symbols (introduced in Ref. arXiv:physics/0306170) is used to study isotropy properties of binary multi-step Markov chains with the long-range correlations. Established statistical correspondence between the Markov chains and certain two-sided sequences allows us to prove the isotropy ...
arxiv   +1 more source

Interaction between bacterial phytochromes Agp1 and Agp2 of Agrobacterium fabrum by fluorescence resonance energy transfer and docking studies

open access: yesFEBS Letters, Volume 599, Issue 6, Page 848-865, March 2025.
The interaction between Agrobacterium fabrum phytochromes Agp1 and Agp2 was studied using FRET. Full‐length and truncated proteins with varied label positions provided spatial insights, narrowing down from many docking models to three. These models explain Agp2's reduction in Agp1 autophosphorylation, with Arg83 of Agp2 specifically evolved to interact
Afaf El Kurdi   +7 more
wiley   +1 more source

A Stereochemical Test of a Proposed Structural Feature of the Nicotinic Acetylcholine Receptor [PDF]

open access: yes, 2008
Understanding the gating mechanism of the nicotinic acetylcholine receptor (nAChR) and similar channels constitutes a significant challenge in chemical neurobiology.
Dougherty, Dennis A.   +2 more
core  

DPP-based polymers with linear/branch side chain for organic field-effect transistors

open access: yesFrontiers in Chemistry, 2022
For polymer semiconductors, the packing ability and molecular weight of polymers play a very critical role in their optoelectronic properties and carrier transport properties.
Daohai Zhang   +4 more
doaj   +1 more source

Elucidation of interface interactions between a dehydratase domain and an acyl carrier protein in cremimycin polyketide synthase

open access: yesFEBS Letters, Volume 599, Issue 8, Page 1159-1168, April 2025.
In modular polyketide synthases, the dehydratase (DH) domain catalyzes the dehydration reaction of the β‐hydroxyacyl unit attached to the cognate acyl carrier protein (ACP) domain. However, it is unclear how DH interacts with ACP during the reaction. In this study, we identified DH–ACP interface residues, providing the first detailed insights into DH ...
Kaede Kotagiri   +8 more
wiley   +1 more source

Fate of phthalic acid esters during composting of both lagooning and activated sludges [PDF]

open access: yes, 2005
Among the phthalic acid esters (PAEs) targeted by the United States Environmental Protection Agency (USEPA) as priority pollutants, di-ethyl-hexyl phthalate (DEHP) is the major pollutant identified at high concentration level in lagooning sludge (LS), at
Amir, Soumia   +6 more
core   +2 more sources

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