Thermodynamics and structure of macromolecules from flat-histogram Monte Carlo simulations
W Janke, W Paul - Soft matter, 2016 - pubs.rsc.org
Over the last decade flat-histogram Monte Carlo simulations, especially multi-canonical and
Wang–Landau simulations, have emerged as a strong tool to study the statistical mechanics …
Wang–Landau simulations, have emerged as a strong tool to study the statistical mechanics …
Dilute semiflexible polymers with attraction: Collapse, folding and aggregation
We review the current state on the thermodynamic behavior and structural phases of self-
and mutually-attractive dilute semiflexible polymers that undergo temperature-driven …
and mutually-attractive dilute semiflexible polymers that undergo temperature-driven …
Thermodynamic laws in isolated systems
The recent experimental realization of exotic matter states in isolated quantum systems and
the ensuing controversy about the existence of negative absolute temperatures demand a …
the ensuing controversy about the existence of negative absolute temperatures demand a …
Microcanonical entropy inflection points: Key to systematic understanding of transitions in finite systems
We introduce a systematic classification method for the analogs of phase transitions in finite
systems. This completely general analysis, which is applicable to any physical system and …
systems. This completely general analysis, which is applicable to any physical system and …
[BOOK][B] Thermodynamics and statistical mechanics of macromolecular systems
M Bachmann - 2014 - books.google.com
The structural mechanics of proteins that fold into functional shapes, polymers that
aggregate and form clusters, and organic macromolecules that bind to inorganic matter can …
aggregate and form clusters, and organic macromolecules that bind to inorganic matter can …
A density of states-based approach to determine temperature-dependent aggregation rates
Here, we establish an approach to determine temperature-dependent aggregation rates in
terms of thermostatistical quantities, which can be obtained directly from flat-histogram and …
terms of thermostatistical quantities, which can be obtained directly from flat-histogram and …
Meaning of temperature in different thermostatistical ensembles
Depending on the exact experimental conditions, the thermodynamic properties of physical
systems can be related to one or more thermostatistical ensembles. Here, we survey the …
systems can be related to one or more thermostatistical ensembles. Here, we survey the …
From amorphous aggregates to polymer bundles: The role of stiffness on structural phases in polymer aggregation
We study the aggregation transition of a finite theta-polymer system in dependence on the
bending stiffness κ with the help of parallel multicanonical simulations. In order to distinguish …
bending stiffness κ with the help of parallel multicanonical simulations. In order to distinguish …
Microcanonical characterization of first-order phase transitions in a generalized model for aggregation
LF Trugilho, LG Rizzi - Journal of Statistical Physics, 2022 - Springer
Aggregation transitions in disordered mesoscopic systems play an important role in several
areas of knowledge, from materials science to biology. The lack of a thermodynamic limit in …
areas of knowledge, from materials science to biology. The lack of a thermodynamic limit in …
Interplay between secondary and tertiary structure formation in protein folding cooperativity
Protein folding cooperativity is defined by the nature of the finite-size thermodynamic
transition exhibited upon folding: two-state transitions show a free-energy barrier between …
transition exhibited upon folding: two-state transitions show a free-energy barrier between …