<p>The number of particles for species A is held fixed and only species B and C subject to the constraint <i>n<sub>A</sub></i> + <i>n<sub>B</sub></i> + <i>n<sub>C</sub></i> = <i>N<sub>total</sub></i>. Values for <i>n<sub>A</sub></i>, <i>N<sub>total</sub></i>, and the free energy of formation of each species and other parameters are given in <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0103582#pone-0103582-t001" target="_blank">Table 1</a>, column 1.</p
Recent very large molecular dynamics simulations of homogeneous nucleation with (1 - 8) × 109 Lennar...
Given a chemical reaction going from reactant (R) to the product (P) on a potential energy surface (...
Methods to compute free energy differences between different states of a molecular system are review...
<p>The reaction conditions are the same as in <a href="http://www.plosone.org/article/info:doi/10.13...
<p>Parameters are given in <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.010...
Recently Tobias and Broods introduced a method to compute by molecular dynamics with constraints the...
Recently Tobias and Broods introduced a method to compute by molecular dynamics with constraints the...
<p><b>A.</b> The equilibrium position is where the total free energy change (solid line) crosses the...
Addendum: Mar. 7, 2020 In the factorial maximization described in this note, which follows from Huan...
Recently Tobias and Broods introduced a method to compute by molecular dynamics with constraints the...
Recently Tobias and Broods introduced a method to compute by molecular dynamics with constraints the...
1.1 Rare Events and free energy landscapes Many interesting physical, chemical and biological proces...
Abstract: Methods to compute free energy differences between different states of a molecular system ...
<p>Left: Cumulative distribution plots of z-scores for segment 5 in the (+)RNA (Top) and (−)RNA (Bot...
In statistical mechanics texts, various factorial schemes related to physical configurations or arra...
Recent very large molecular dynamics simulations of homogeneous nucleation with (1 - 8) × 109 Lennar...
Given a chemical reaction going from reactant (R) to the product (P) on a potential energy surface (...
Methods to compute free energy differences between different states of a molecular system are review...
<p>The reaction conditions are the same as in <a href="http://www.plosone.org/article/info:doi/10.13...
<p>Parameters are given in <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.010...
Recently Tobias and Broods introduced a method to compute by molecular dynamics with constraints the...
Recently Tobias and Broods introduced a method to compute by molecular dynamics with constraints the...
<p><b>A.</b> The equilibrium position is where the total free energy change (solid line) crosses the...
Addendum: Mar. 7, 2020 In the factorial maximization described in this note, which follows from Huan...
Recently Tobias and Broods introduced a method to compute by molecular dynamics with constraints the...
Recently Tobias and Broods introduced a method to compute by molecular dynamics with constraints the...
1.1 Rare Events and free energy landscapes Many interesting physical, chemical and biological proces...
Abstract: Methods to compute free energy differences between different states of a molecular system ...
<p>Left: Cumulative distribution plots of z-scores for segment 5 in the (+)RNA (Top) and (−)RNA (Bot...
In statistical mechanics texts, various factorial schemes related to physical configurations or arra...
Recent very large molecular dynamics simulations of homogeneous nucleation with (1 - 8) × 109 Lennar...
Given a chemical reaction going from reactant (R) to the product (P) on a potential energy surface (...
Methods to compute free energy differences between different states of a molecular system are review...