Results 81 to 90 of about 4,243,838 (306)

Method for Computing Protein Binding Affinity

, 2004
A Monte Carlo method is given to compute the binding affinity of a ligand to a protein. The method involves extending configuration space by a discrete variable indicating whether the ligand is bound to the protein and a special Monte Carlo move which ...
Adams, Bayly, Bennett, Case, Cornell, Dempster, Frisch, Gilson, Golub, Hamilton, Hawkins, Head, Houdayer, Katz, Kollman, Kong, Landau, Luo, Lyubartsev, Mardia, Mares-Guia, Metropolis, Mezei, Miller, Morris, Schwarzl, Senderowitz, Senderowitz, Still, Tidor, Tsui, Verbeek, Voter, Zhu   +33 more
core   +3 more sources

Statistical-mechanical lattice models for protein-DNA binding in chromatin [PDF]

, 2010
Statistical-mechanical lattice models for protein-DNA binding are well established as a method to describe complex ligand binding equilibriums measured in vitro with purified DNA and protein components. Recently, a new field of applications has opened up
Adams C C, Akhrem A A, Bash R C, Gurskii G V, Gurskii G V, Hill T L, Iovanovich B, Karsten Rippe, Lando D Y, Lando D Y, Längst G, Markov A A, Mirny L A, Nechipurenko Y D, Nechipurenko Y D, Nechipurenko Y D, Poland D, Schellman J A, Svaren J, Teif V B, Teif V B, Teif V B, van Holde K E, Vladimir B Teif, Zasedatelev A S   +24 more
core   +2 more sources

Cell wall target fragment discovery using a low‐cost, minimal fragment library

FEBS Letters, EarlyView.
LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan, Mathew Stanley, Olawale Raimi, Andrew T. Ferenbach, Helge C Dorfmueller, Daan M. F. van Aalten   +5 more
wiley   +1 more source

Evolutionary conservation of influenza A PB2 sequences reveals potential target sites for small molecule inhibitors. [PDF]

, 2017
The influenza A basic polymerase protein 2 (PB2) functions as part of a heterotrimer to replicate the viral RNA genome. To investigate novel PB2 antiviral target sites, this work identified evolutionary conserved regions across the PB2 protein sequence ...
Kukol, A., Kukol, A., Patel, H., Patel, H.   +3 more
core   +3 more sources

The (Glg)ABCs of cyanobacteria: modelling of glycogen synthesis and functional divergence of glycogen synthases in Synechocystis sp. PCC 6803

FEBS Letters, EarlyView.
We reconstituted Synechocystis glycogen synthesis in vitro from purified enzymes and showed that two GlgA isoenzymes produce glycogen with different architectures: GlgA1 yields denser, highly branched glycogen, whereas GlgA2 synthesizes longer, less‐branched chains.
Kenric Lee, Dimitrios Bekiari, Sofia Doello, Karl Forchhammer   +3 more
wiley   +1 more source

Specific protein-protein binding in many-component mixtures of proteins [PDF]

, 2003
Proteins must bind to specific other proteins in vivo in order to function. The proteins must bind only to one or a few other proteins of the of order a thousand proteins typically present in vivo.
Alberts B, MacKay D J C, Percus J K, Perelson A S, Perelson A S, Richard P Sear, Schneider T D, Schneider T D, Schneider T D, Sear R P, Sear R P, Shannon C E, Shannon C E, Shannon C E, Wallis R   +14 more
core   +2 more sources

Structural biology of ferritin nanocages

FEBS Letters, EarlyView.
Ferritin is a conserved iron‐storage protein that sequesters iron as a ferric mineral core within a nanocage, protecting cells from oxidative damage and maintaining iron homeostasis. This review discusses ferritin biology, structure, and function, and highlights recent cryo‐EM studies revealing mechanisms of ferritinophagy, cellular iron uptake, and ...
Eloise Mastrangelo, Flavio Di Pisa
wiley   +1 more source

Species-Specific Unbound Fraction Differences in Highly Bound PFAS: A Comparative Study across Human, Rat, and Mouse Plasma and Albumin

Toxics
Per- and polyfluoroalkyl substances (PFAS) are a diverse group of fluorinated compounds which have yet to undergo comprehensive investigation regarding potential adverse health effects and bioaccumulative properties. With long half-lives and accumulative
Sangwoo Ryu, Woodrow Burchett, Sam Zhang, Seyed Mohamad Sadegh Modaresi, Juliana Agudelo Areiza, Emily Kaye, Fabian Christoph Fischer, Angela L. Slitt   +7 more
doaj   +1 more source

Rubredoxin Variant Folds without Iron [PDF]

, 1999
Pyroccocus furiosus rubredoxin (PFRD), like most studied hyperthermophilic proteins, does not undergo reversible folding. The irreversibility of folding is thought to involve PFRD’s iron-binding site.
Mayo, Stephen L., Strop, Pavel
core   +1 more source

Organ‐specific redox imbalances in spinal muscular atrophy mice are partially rescued by SMN antisense oligonucleotides

FEBS Letters, EarlyView.
We identified a systemic, progressive loss of protein S‐glutathionylation—detected by nonreducing western blotting—alongside dysregulation of glutathione‐cycle enzymes in both neuronal and peripheral tissues of Taiwanese SMA mice. These alterations were partially rescued by SMN antisense oligonucleotide therapy, revealing persistent redox imbalance as ...
Sofia Vrettou, Brunhilde Wirth
wiley   +1 more source