Results 41 to 50 of about 107,753 (225)
Biomimetic Chemistry on Tandem Protein/Lipid Damages under Reductive Radical Stress
CHIMIA, 2008 The study of radical stress in the biological environment needs a comprehensive vision of all possible reactive species and their mechanisms. Among them, reductive stress is evaluated for its selective target of sulfur-containing compounds.
Sílvia Atrian +8 more
doaj +1 more source
Metropolis Importance Sampling for Rugged Dynamical Variables [PDF]
Phys. Rev. Lett. 90, 180601 (2003), 2002 A funnel transformation is introduced, which acts recursively from higher towards lower temperatures. It biases the a-priori probabilities of a canonical or generalized ensemble Metropolis simulation, so that they zoom in on the global energy minimum, if a funnel exists indeed.
arxiv +1 more source
Structure of the Energy Landscape of Short Peptides [PDF]
Int. J. of Mod. Phys. C 14(1), xxx (2003), 2002 We have simulated, as a showcase, the pentapeptide Met-enkephalin (Tyr-Gly-Gly-Phe-Met) to visualize the energy landscape and investigate the conformational coverage by the multicanonical method. We have obtained a three-dimensional topographic picture of the whole energy landscape by plotting the histogram with respect to energy(temperature) and the ...
arxiv +1 more source
Mediators of Inflammation, 2015 Purpose. This study quantified the expression of substance P (SP), calcitonin gene-related peptide (CGRP), β-endorphins (β-End), and methionine-enkephalin (Met-Enk) in human dental pulp following orthodontic intrusion. Methods.
Daniel Chavarria-Bolaños +4 more
doaj +1 more source
Parallel Tempering Algorithm for Conformational Studies of Biological Molecules [PDF]
Chem.~Phys.~Lett. 281 (1997) 140-150, 1997 The effectiveness of a new algorithm, parallel tempering, is studied for numerical simulations of biological molecules. These molecules suffer from a rough energy landscape. The resulting slowing down in numerical simulations is overcome by the new method.
arxiv +1 more source
Effective Sampling in the Configurational Space by the Multicanonical-Multioverlap Algorithm [PDF]
, 2006 We propose a new generalized-ensemble algorithm, which we refer to as the multicanonical-multioverlap algorithm. By utilizing a non-Boltzmann weight factor, this method realizes a random walk in the multi-dimensional, energy-overlap space and explores widely in the configurational space including specific configurations, where the overlap of a ...
arxiv +1 more source
Reconstructing the free-energy landscape of Met-enkephalin using dihedral Principal Component Analysis and Well-tempered Metadynamics [PDF]
, 2012 Well-Tempered Metadynamics (WTmetaD) is an efficient method to enhance the reconstruction of the free-energy surface of proteins. WTmetaD guarantees a faster convergence in the long time limit in comparison with the standard metadynamics. It still suffers however from the same limitation, i.e.
arxiv +1 more source
Mass Spectrometry Reviews, EarlyView.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
Evidence of Involvement of the Calcitonin Gene‐Related Peptide in Restless Legs Syndrome
Movement Disorders, EarlyView.Abstract Background Restless legs syndrome (RLS) is a common sensory‐motor disorder characterized by an urge to move the legs, often with unpleasant sensations, particularly during rest. Current treatments include iron supplementation, dopamine agonists, and opioids, but new therapeutic approaches are needed.
Maria P. Mogavero +8 more
wiley +1 more source
Nutritionally recommended food for semi- to strict vegetarian diets based on large-scale nutrient composition data [PDF]
Scientific Reports 8:4344 (2018), 2018 Diet design for vegetarian health is challenging due to the limited food repertoire of vegetarians. This challenge can be partially overcome by quantitative, data-driven approaches that utilise massive nutritional information collected for many different foods. Based on large-scale data of foods' nutrient compositions, the recent concept of nutritional
arxiv +1 more source