Results 61 to 70 of about 14,708 (190)
Stochastic dynamics simulations in a new generalized ensemble [PDF]
We develop a formulation for molecular dynamics, Langevin, and hybrid Monte Carlo algorithms in the recently proposed generalized ensemble that is based on a physically motivated realisation of Tsallis weights. The effectiveness of the methods are tested
Andricioaei +24 more
core +3 more sources
ABSTRACT One of the great triumphs of mass spectrometry‐based peptide and protein characterization is the characterization of their modifications as most modifications have a characteristic mass shift. What happens when the modification does not change the mass of the peptide?
Samuel Okyem, Jonathan V. Sweedler
wiley +1 more source
Replica-Exchange Simulated Tempering Method for Simulations of Frustrated Systems
We propose a new method for the determination of the weight factor for the simulated tempering method. In this method a short replica-exchange simulation is performed and the simulated tempering weight factor is obtained by the multiple-histogram ...
Ayori Mitsutake +31 more
core +1 more source
Recent Developments in Capillary and Microchip Electroseparations of Peptides (2023–mid 2025)
ABSTRACT This review presents a comprehensive overview of the developments and applications of high‐performance capillary and microchip electromigration methods (zone electrophoresis in a free solution or in sieving media, isotachophoresis, isoelectric focusing, affinity electrophoresis, electrokinetic chromatography, and electrochromatography) for ...
Václav Kašička
wiley +1 more source
The control of chronic pain through transplantation of chromaffin cells has been reported over the past few years. Analgesic effects are principally due to the production of opioid peptides and catecholamines by chromaffin cells.
Jean C. Bés +7 more
doaj +1 more source
Wang-Landau molecular dynamics technique to search for low-energy conformational space of proteins
Multicanonical molecular dynamics (MD) is a powerful technique for sampling conformations on rugged potential surfaces such as protein. However, it is notoriously difficult to estimate the multicanonical temperature effectively. Wang and Landau developed
Akira R. Kinjo +7 more
core +1 more source
Striatal Morphological and Functional Alterations Induced by Prenatal Alcohol Exposure [PDF]
Prenatal alcohol exposure (PAE) is an insidious yet preventable cause of developmental disability. The prenatal stage is a critical period for brain development with the concurrence of high vulnerability to the acute and prolonged effects of PAE.
Ma, Yao-Ying
core +1 more source
Abstract Background Huntington's disease (HD) is characterized by early, selective, progressive vulnerability of striatal medium spiny neurons (MSNs). Proenkephalin (PENK), a precursor of opioid peptides abundantly expressed in MSNs, is a promising biomarker of striatal integrity, but region‐specific associations and its potential for early‐stage ...
Mena Farag +14 more
wiley +1 more source
Freezing of enkephalinergic functions by multiple noxious foci: a source of pain sensitization? [PDF]
BACKGROUND:The functional significance of proenkephalin systems in processing pain remains an open question and indeed is puzzling. For example, a noxious mechanical stimulus does not alter the release of Met-enkephalin-like material (MELM) from segments
François Cesselin +4 more
doaj +1 more source
Predicting molecular structures: an application of the cutting angle method [PDF]
The ability to predict molecular geometries has important applications in chemistry. Specific examples include the areas of protein space structure elucidation, the investigation of host–guest interactions, the understanding of properties of ...
Batten, Lynn M. +2 more
core +2 more sources

