Nucleation: theory and applications to protein solutions and colloidal suspensions
RP Sear - Journal of Physics: Condensed Matter, 2007 - iopscience.iop.org
The status of our understanding of nucleation is reviewed. Both general aspects of
nucleation and those specific to protein solutions and colloidal suspensions are considered …
nucleation and those specific to protein solutions and colloidal suspensions are considered …
Equilibrium mechanisms of self-limiting assembly
Self-assembly is a ubiquitous process in synthetic and biological systems, broadly defined
as the spontaneous organization of multiple subunits (macromolecules, particles, etc.) into …
as the spontaneous organization of multiple subunits (macromolecules, particles, etc.) into …
[图书][B] Monte Carlo simulation in statistical physics
K Binder, DW Heermann, K Binder - 1992 - Springer
Roughly at the time (1987) when the manuscript for the first three chapters of the present
book was completed, several breakthroughs occurred. They had a profound influence on the …
book was completed, several breakthroughs occurred. They had a profound influence on the …
The mechanism of cellulose hydrolysis by a two-step, retaining cellobiohydrolase elucidated by structural and transition path sampling studies
Glycoside hydrolases (GHs) cleave glycosidic linkages in carbohydrates, typically via
inverting or retaining mechanisms, the latter of which proceeds via a two-step mechanism …
inverting or retaining mechanisms, the latter of which proceeds via a two-step mechanism …
Interplay between structure and size in a critical crystal nucleus
D Moroni, PR Ten Wolde, PG Bolhuis - Physical review letters, 2005 - APS
We study the kinetics of crystal nucleation of an undercooled Lennard-Jones liquid using
various path-sampling methods. We obtain the rate constant and elucidate the pathways for …
various path-sampling methods. We obtain the rate constant and elucidate the pathways for …
Crystal nucleation as the ordering of multiple order parameters
Nucleation is an activated process in which the system has to overcome a free energy
barrier in order for a first-order phase transition between the metastable and the stable …
barrier in order for a first-order phase transition between the metastable and the stable …
[图书][B] Advanced computer simulation approaches for soft matter sciences III
The series Advances in Polymer Science presents critical reviews of the present and future
trends in polymer and biopolymer science including chemistry, physical chemistry, physics …
trends in polymer and biopolymer science including chemistry, physical chemistry, physics …
Molecular modeling investigations of sorption and diffusion of small molecules in Glassy polymers
N Vergadou, DN Theodorou - Membranes, 2019 - mdpi.com
With a wide range of applications, from energy and environmental engineering, such as in
gas separations and water purification, to biomedical engineering and packaging, glassy …
gas separations and water purification, to biomedical engineering and packaging, glassy …
Transition path sampling and other advanced simulation techniques for rare events
C Dellago, PG Bolhuis - … computer simulation approaches for soft matter …, 2009 - Springer
Computer simulations of molecular processes such as nucleation in first-order phase
transitions or the folding of a protein are often complicated by widely disparate time scales …
transitions or the folding of a protein are often complicated by widely disparate time scales …
Simulation of vapor-liquid coexistence in finite volumes: A method to compute the surface free energy of droplets
M Schrader, P Virnau, K Binder - … Review E—Statistical, Nonlinear, and Soft …, 2009 - APS
When a fluid at a constant density ρ in between the densities of coexisting vapor (ρ v) and
liquid (ρ ℓ) at temperatures below criticality is studied in a (cubic) box of finite linear …
liquid (ρ ℓ) at temperatures below criticality is studied in a (cubic) box of finite linear …