scholarly journals Studying the mechanism of phase separation in aqueous solutions of globular proteins via molecular dynamics computer simulations

2021 ◽  
Vol 23 (1) ◽  
pp. 415-424 ◽  
Author(s):  
Sandi Brudar ◽  
Jure Gujt ◽  
Eckhard Spohr ◽  
Barbara Hribar-Lee
Keyword(s):  
Molecular Dynamics ◽  
Phase Separation ◽  
Aqueous Solutions ◽  
Computer Simulations ◽  
Biological Process ◽  
Globular Proteins ◽  
Living Cells ◽  
P Proteins

Proteins are the most abundant biomacromolecules in living cells, where they perform vital roles in virtually every biological process.

scholarly journals Universality class of the motility-induced critical point in large scale off-lattice simulations of active particles.

Soft Matter ◽  
2021 ◽  
Author(s):  
Claudio Maggi ◽  
Matteo Paoluzzi ◽  
Andrea Crisanti ◽  
Emanuela Zaccarelli ◽  
Nicoletta Gnan
Keyword(s):  
Phase Separation ◽  
Critical Point ◽  
Computer Simulations ◽  
Large Scale ◽  
Universality Class ◽  
Critical Behaviour ◽  
Two Dimensional ◽  
Dimensional Model ◽  
Active Particles ◽  
Two Dimensional Model

We perform large-scale computer simulations of an off-lattice two-dimensional model of active particles undergoing a motility-induced phase separation (MIPS) to investigate the systems critical behaviour close to the critical point...

Molecular Dynamics Simulation of the Aggregation Patterns in Aqueous Solutions of Bile Salts at Physiological Conditions

2015 ◽  
Vol 119 (51) ◽  
pp. 15631-15643 ◽  
Author(s):  
Fatmegyul Mustan ◽  
Anela Ivanova ◽  
Galia Madjarova ◽  
Slavka Tcholakova ◽  
Nikolai Denkov
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Aqueous Solutions ◽  
Bile Salts ◽  
Dynamics Simulation ◽  
Physiological Conditions
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