Fandom

VroniPlag Wiki

Ry/036

< Ry

31.366Seiten in
diesem Wiki
Seite hinzufügen
Diskussion0 Teilen

Störung durch Adblocker erkannt!


Wikia ist eine gebührenfreie Seite, die sich durch Werbung finanziert. Benutzer, die Adblocker einsetzen, haben eine modifizierte Ansicht der Seite.

Wikia ist nicht verfügbar, wenn du weitere Modifikationen in dem Adblocker-Programm gemacht hast. Wenn du sie entfernst, dann wird die Seite ohne Probleme geladen.

Permeation of Organometallic Compounds through Phospholipid Membranes

von Dr. Raycho Yonchev

vorherige Seite | zur Übersichtsseite | folgende Seite
Statistik und Sichtungsnachweis dieser Seite findet sich am Artikelende
[1.] Ry/Fragment 036 01 - Diskussion
Zuletzt bearbeitet: 2016-04-10 12:35:49 WiseWoman
Accelrys Inc. - Forcefield-Based Simulations 1998, Fragment, Gesichtet, Ry, SMWFragment, Schutzlevel sysop, Verschleierung

Typus
Verschleierung
Bearbeiter
Klgn
Gesichtet
Yes.png
Untersuchte Arbeit:
Seite: 36, Zeilen: 1-6
Quelle: Accelrys Inc. - Forcefield-Based Simulations 1998
Seite(n): 195, Zeilen: 15ff
Verlet Leap-Frog algorithm requires r(t), v(tt/2), and a(t), which are (respectively) the position, velocity, and acceleration at times t, tt/2, and t, and compute:

v \left ( t + \frac{\Delta t}{2} \right ) = v \left ( t - \frac{\Delta t}{2} \right ) + \Delta t \, \mathrm{a} (t) (2.3)

\mathrm{r} (t + \Delta t) = \mathrm{r}(t) + \Delta t v \left ( t + \frac{\Delta t}{2} \right ) (2.4)

\mathrm{a} (t + \Delta t) = \frac{\mathrm{f}(t+\Delta t)}{m} (2.5)

where f(t + Δt) is evaluated from -dV/dr at r(t + Δt).

The leapfrog algorithm

The Verlet leapfrog algorithm is as follows:

Given r(t), v(tt/2), and a(t), which are (respectively) the position, velocity, and acceleration at times t, tt/2, and t, compute:

Ry 36 source Eq2.png

where f(t + Δt) is evaluated from -dV/dr at r(t + Δt).

Anmerkungen

No source is given.

Sichter
(Klgn), WiseWoman

[2.] Ry/Fragment 036 07 - Diskussion
Zuletzt bearbeitet: 2016-04-10 12:29:58 WiseWoman
Anézo 2003, Fragment, Gesichtet, Ry, SMWFragment, Schutzlevel sysop, Verschleierung

Typus
Verschleierung
Bearbeiter
Klgn
Gesichtet
Yes.png
Untersuchte Arbeit:
Seite: 36, Zeilen: 7-20
Quelle: Anézo 2003
Seite(n): 56, 60, Zeilen: 56:21-23; 60:8-19
If the corresponding velocities are not known, they are obtained from a Maxwell – Boltzmann distribution and are scaled (or rerandomized) until kinetic and potential energies are in equipartition and the desired temperature is reached.

II.2. Molecular dynamics studies of lipid bilayers

II.2.1 Review

MD simulations provide a powerful tool to analyze biomolecular systems from an atomic perspective with a level of detail missing in any other approach. This technique has been widely used in studies of proteins and nucleic acids, but has been less applied to the analysis of biological membranes for several reasons. Biomembranes are indeed very complex in terms of both structural and dynamic properties. Unlike proteins or nucleic acids, which have well-defined three-dimensional structures, membrane components derive a large majority of their properties and functions from their fluid nature. The fluid character of the physiologically relevant fluid crystalline phase makes experimental studies particularly difficult and only limited atomic-level data from X-ray or neutron [diffraction have been for long accessible, compared with the amount of data available on proteins and nucleic acids.]

[page 56]

If the corresponding velocities are not available, they are typically obtained from a Maxwell-Boltzmann distribution and are scaled (or rerandomized) until kinetic and potential energies are in equipartition and the target temperature is reached.

[page 60]

3.2 Molecular dynamics studies of lipid bilayers

3.2.1 Review

MD simulations provide a powerful tool to analyze biomolecular systems from an atomic perspective with a level of detail missing in any other approach. This technique has been widely used in studies of proteins and nucleic acids, but has been less applied to the analysis of biological membranes for several reasons. Biomembranes are indeed very complex in terms of both structural and dynamic properties. Unlike proteins or nucleic acids which have well-defined three-dimensional structures, membrane components derive a large majority of their properties and functions from their fluid nature. The fluid character of the physiologically relevant fluid crystalline phase makes experimental studies particularly difficult and only limited atomic-level data from X-ray or neutron diffraction have been for long accessible, compared with the amount of data available on proteins and nucleic acids.

Anmerkungen

No source is given.

Sichter
(Klgn), WiseWoman


vorherige Seite | zur Übersichtsseite | folgende Seite
Letzte Bearbeitung dieser Seite: durch Benutzer:WiseWoman, Zeitstempel: 20160410123256

Auch bei Fandom

Zufälliges Wiki