Comparison of two adaptive temperature-based replica exchange methods applied to a sharp phase transition of protein unfolding-folding

2011 ◽  
Vol 134 (24) ◽  
pp. 244111 ◽  
Author(s):  
Michael S. Lee ◽  
Mark A. Olson
Keyword(s):  
Phase Transition ◽  
Protein Unfolding ◽  
Replica Exchange ◽  
Sharp Phase Transition

scholarly journals Concentration-driven phase transition and self-assembly in drying droplets of diluting whole blood

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Anusuya Pal ◽  
Amalesh Gope ◽  
John D. Obayemi ◽  
Germano S. Iannacchione
Keyword(s):  
Phase Transition ◽  
Self Assembly ◽  
Whole Blood ◽  
Morphological Analysis ◽  
Hierarchical Structures ◽  
Contact Angle Measurement ◽  
Angle Measurement ◽  
Colloidal Systems ◽  
Functional Complexity ◽  
Sharp Phase Transition

Abstract Multi-colloidal systems exhibit a variety of structural and functional complexity owing to their ability to interact amongst different components into self-assembled structures. This paper presents experimental confirmations that reveal an interesting sharp phase transition during the drying state and in the dried film as a function of diluting concentrations ranging from 100% (undiluted whole blood) to 12.5% (diluted concentrations). An additional complementary contact angle measurement exhibits a monotonic decrease with a peak as a function of drying. This peak is related to a change in visco-elasticity that decreases with dilution, and disappears at the dilution concentration for the observed phase transition equivalent to 62% (v/v). This unique behavior is clearly commensurate with the optical image statistics and morphological analysis; and it is driven by the decrease in the interactions between various components within this bio-colloid. The implications of these phenomenal systems may address many open-ended questions of complex hierarchical structures.

Wild Type, Mutant Protein Unfolding and Phase Transition Detected by Single-Nanopore Recording

2012 ◽  
Vol 7 (4) ◽  
pp. 652-658 ◽  
Author(s):  
Céline Merstorf ◽  
Benjamin Cressiot ◽  
Manuela Pastoriza-Gallego ◽  
Abdelghani Oukhaled ◽  
Jean-Michel Betton ◽  
...  
Keyword(s):  
Phase Transition ◽  
Protein Unfolding ◽  
Mutant Protein ◽  
Wild Type ◽  
Type Mutant

Non-percolating small metallic clusters and sharp suppression of metallicity in RE0.55Sr0.45Mn1−xRuxO3manganites

2018 ◽  
Vol 20 (4) ◽  
pp. 2431-2437 ◽  
Author(s):  
H. S. Alagoz ◽  
I. Živković ◽  
K. H. Chow ◽  
J. Jung
Keyword(s):  
Phase Transition ◽  
Ferromagnetic Metal ◽  
Metallic Clusters ◽  
A Site ◽  
Sharp Phase Transition

The origin of the anomalous sharp phase transition from a ferromagnetic metal into a ferromagnetic insulator has been investigated in ruthenium (Ru)-doped RE0.55Sr0.45Mn1−xRuxO3(0 ≤x≤ 0.25) manganites (RESRMO) with RE(A-site) = Sm, Eu and Gd.

scholarly journals Examining the phase transition behavior of amphiphilic lipids in solution using statistical temperature molecular dynamics and replica-exchange Wang-Landau methods

2013 ◽  
Vol 139 (5) ◽  
pp. 054505 ◽  
Author(s):  
Lili Gai ◽  
Thomas Vogel ◽  
Katie A. Maerzke ◽  
Christopher R. Iacovella ◽  
David P. Landau ◽  
...  
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Replica Exchange ◽  
Phase Transition Behavior ◽  
Transition Behavior

scholarly journals Investigating the solid-liquid phase transition of water nanofilms using the generalized replica exchange method

2014 ◽  
Vol 141 (18) ◽  
pp. 18C525 ◽  
Author(s):  
Qing Lu ◽  
Jaegil Kim ◽  
James D. Farrell ◽  
David J. Wales ◽  
John E. Straub
Keyword(s):  
Phase Transition ◽  
Liquid Phase ◽  
Replica Exchange ◽  
Exchange Method ◽  
Liquid Phase Transition ◽  
Solid Liquid ◽  
Replica Exchange Method

scholarly journals MONTE CARLO SIMULATION OF THE RISE AND THE FALL OF LANGUAGES

2005 ◽  
Vol 16 (05) ◽  
pp. 781-787 ◽  
Author(s):  
CHRISTIAN SCHULZE ◽  
DIETRICH STAUFFER
Keyword(s):  
Phase Transition ◽  
Monte Carlo Simulation ◽  
Scaling Law ◽  
Biological Evolution ◽  
Mutation Rates ◽  
Random Mutation ◽  
Simple Scaling ◽  
Log Normal ◽  
Sharp Phase Transition ◽  
Fixed Population

Similar to biological evolution and speciation, we define a language through a string of 8 or 16 bits. The parent gives its language to its children, apart from a random mutation from zero to one or from one to zero; initially all bits are zero. The Verhulst deaths are taken as proportional to the total number of people, while in addition languages spoken by many people are preferred over small languages. For a fixed population size, a sharp phase transition is observed: For low mutation rates, one language contains nearly all people; for high mutation rates, no language dominates and the size distribution of languages is roughly log-normal as for present human languages. A simple scaling law is valid.

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