scholarly journals Transient Structure Formation Kinetics of Monomeric Alpha-Synuclein Derived from MD Simulations

2020 ◽  
Vol 118 (3) ◽  
pp. 216a
Author(s):  
Reinhard Klement ◽  
Timo Graen ◽  
Asaf Grupi ◽  
Elisha Haas ◽  
Helmut Grubmueller
Keyword(s):  
Structure Formation ◽  
Md Simulations ◽  
Alpha Synuclein ◽  
Formation Kinetics ◽  
Kinetics Of ◽  
Transient Structure

scholarly journals Structure and Formation Kinetics of Millimeter‐Size Single Domain Supercrystals

2021 ◽  
pp. 2101869
Author(s):  
Daniel García‐Lojo ◽  
Evgeny Modin ◽  
Sergio Gómez‐Graña ◽  
Marianne Impéror‐Clerc ◽  
Andrey Chuvilin ◽  
...  
Keyword(s):  
Single Domain ◽  
Formation Kinetics ◽  
Kinetics Of

scholarly journals Thermodynamics and kinetics of the amyloid-β peptide revealed by Markov state models based on MD data in agreement with experiment

2021 ◽  
Author(s):  
Arghadwip Paul ◽  
Suman Samantray ◽  
Marco Anteghini ◽  
Mohammed Khaled ◽  
Birgit Strodel
Keyword(s):  
Amyloid Β ◽  
Md Simulations ◽  
Amyloid Β Peptide ◽  
Intrinsically Disordered ◽  
Thermodynamics And Kinetics ◽  
Markov State ◽  
Markov State Models ◽  
State Models ◽  
Kinetics Of

The convergence of MD simulations is tested using varying measures for the intrinsically disordered amyloid-β peptide (Aβ). Markov state models show that 20–30 μs of MD is needed to reliably reproduce the thermodynamics and kinetics of Aβ.

Understanding the phase formation kinetics of nano-crystalline kesterite deposited on mesoscopic scaffolds via in situ multi-wavelength Raman-monitored annealing

2016 ◽  
Vol 18 (42) ◽  
pp. 29435-29446 ◽  
Author(s):  
Zhuoran Wang ◽  
Samir Elouatik ◽  
George P. Demopoulos
Keyword(s):  
Real Time ◽  
Phase Formation ◽  
Formation Kinetics ◽  
Nano Crystalline ◽  
Multi Wavelength ◽  
Real Time Information ◽  
Kinetics Of ◽  
Time Information ◽  
Annealing Method

The in situ Raman monitored annealing method is developed in this work to provide real-time information on phase formation and crystallinity evolution of kesterite deposited on a TiO2 mesoscopic scaffold.

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