Results 61 to 70 of about 107,753 (225)
Rugged Metropolis Sampling with Simultaneous Updating of Two Dynamical Variables [PDF]
Phys. Rev. E 72, 016712 (2005), 2005 The Rugged Metropolis (RM) algorithm is a biased updating scheme, which aims at directly hitting the most likely configurations in a rugged free energy landscape. Details of the one-variable (RM$_1$) implementation of this algorithm are presented. This is followed by an extension to simultaneous updating of two dynamical variables (RM$_2$).
arxiv +1 more source
Catalytic Serine Labeling in Nonaqueous, Acidic Media
Chemistry – A European Journal, Volume 31, Issue 12, February 25, 2025.Serine‐targeting protein bioconjugation has been a formidable challenge because of the modest reactivity of the alkyl alcohol group in aqueous media. This work demonstrates a biomolecule‐compatible, nonaqueous approach to achieve alkyl alcohol‐selective labeling through acid‐catalyzed esterification reactions, which offers a unique advantage over the ...
Seiya Ishizawa +5 more
wiley +1 more source
Simulating Met-Enkephalin With Population Annealing Molecular Dynamics [PDF]
arXiv, 2020 Met-enkephalin, one of the smallest opiate peptides and an important neurotransmitter, is a widely used benchmarking problem in the field of molecular simulation. Through its range of possible low-temperature conformations separated by free-energy barriers it was previously found to be hard to thermalize using straight canonical molecular dynamics ...
arxiv
Rh‐Catalyzed Hydroamination of Allenes: Asymmetric N‐Allylation of Amino Acids and Peptides
ChemistryEurope, Volume 2, Issue 5, September 9, 2024.A rhodium‐catalyzed, atom‐economic method for the branched‐selective hydroamination of terminal allenes with α‐amino acid esters is reported. High levels of enantio‐ and diastereoselectivity were achieved by using commercially available ligands, with complete catalyst control demonstrated in several products.
Edward Damer, Bernhard Breit
wiley +1 more source
The Folding Funnel Landscape of the Peptide Met-enkephalin [PDF]
arXiv, 1998 We study the free energy landscape of the small peptide Met-enkephalin. Our data were obtained from a generalized-ensemble Monte Carlo simulation taking the interactions among all atoms into account. We show that the free energy landscape resembles that of a funnel, indicating that this peptide is a good folder.
arxiv
Journal of Immunology, 1979 This study reports the in vitro influence of morphine, dextromoramide, levomoramide, and methionine-enkephalin upon normal human T blood lymphocytes by using the active and total rosette tests.
Joseph Wybran +3 more
semanticscholar +1 more source
Journal of Separation Science, Volume 47, Issue 15, August 2024.This study investigated the capability of electromembrane extraction (EME) as a general technique for peptides, by extracting complex pools of peptides comprising in total of 5953 different substances, varying in size from seven to 16 amino acids. Electromembrane extraction was conducted from a sample adjusted to pH 3.0 and utilized a liquid membrane ...
Torstein Kige Rye +7 more
wiley +1 more source
Radiation‐Induced Molecular Processes in DNA: A Perspective on Gas‐Phase Interaction Studies
Chemistry – A European Journal, Volume 30, Issue 38, July 5, 2024.This perspective explores the technical developments towards crossed‐beam studies of ionizing radiation with mass‐selected and conformationally pure beams of oligonucleotide ions. It reviews key developments in the field and highlights challenges.
Thomas Schlathölter +1 more
wiley +1 more source
Propagation of Fluctuations in Biochemical Systems, I: Linear SSC Networks [PDF]
arXiv, 2005 We investigate the propagation of random fluctuations through biochemical networks in which the concentrations of species are large enough so that the unperturbed problem is well-described by ordinary differential equation. We characterize the behavior of variance as fluctuations propagate down chains, study the effect of side chains and feedback loops,
arxiv
Obesity, Volume 32, Issue 7, Page 1302-1314, July 2024.Abstract Objective Epicardial adipose tissue (EAT) is a visceral fat that has been associated with coronary artery disease and atrial fibrillation. Previous work has revealed that EAT exhibits beige features. Methods First, a new pan‐genomic microarray analysis was performed on previously collected paired human EAT and thoracic subcutaneous AT (thSAT ...
Elisa Doukbi +14 more
wiley +1 more source