We address the question of constructing a protocol for replica-exchange molecular dynamics (REMD) simulations that make efficient use of the replica space, assess whether published applications are achieving such "mixing" efficiency, and provide a how-t
<p>We study the comparison of computational simulations of biomolecules to experimental data. We stu...
Accelerated molecular dynamics (AMD) is an efficient strategy for accelerating the sampling of molec...
We developed a replica exchange method that is effectively parallelizable even if the computational ...
We present an approach to mimic replica exchange molecular dynamics simulations (REMD) on a microsec...
Replica Exchange (RE) simulations have emerged as an important algorithmic tool for the molecular s...
We sketch the statistical physics framework of the replica exchange technique when applied to molecu...
We sketch the statistical physics framework of the replica exchange technique when applied to molecu...
Replica exchange molecular dynamics (REMD) simulations have become an important tool to study protei...
Replica exchange molecular dynamics (REMD) simulations have become an important tool to study protei...
AbstractToday's standard molecular dynamics simulations of moderately sized biomolecular systems at ...
A new application of the replica exchange technique is demonstrated for use in reactive Monte Carlo ...
We discuss the possibility of implementing asynchronous replica-exchange (or parallel tempering) mol...
Abstract: Accelerated molecular dynamics (AMD) is an ef-ficient strategy for accelerating the sampli...
We study the dynamics of parallel tempering simulations, also known as the replica exchange techniqu...
Accelerated molecular dynamics (AMD) is an efficient strategy for accelerating the sampling of molec...
<p>We study the comparison of computational simulations of biomolecules to experimental data. We stu...
Accelerated molecular dynamics (AMD) is an efficient strategy for accelerating the sampling of molec...
We developed a replica exchange method that is effectively parallelizable even if the computational ...
We present an approach to mimic replica exchange molecular dynamics simulations (REMD) on a microsec...
Replica Exchange (RE) simulations have emerged as an important algorithmic tool for the molecular s...
We sketch the statistical physics framework of the replica exchange technique when applied to molecu...
We sketch the statistical physics framework of the replica exchange technique when applied to molecu...
Replica exchange molecular dynamics (REMD) simulations have become an important tool to study protei...
Replica exchange molecular dynamics (REMD) simulations have become an important tool to study protei...
AbstractToday's standard molecular dynamics simulations of moderately sized biomolecular systems at ...
A new application of the replica exchange technique is demonstrated for use in reactive Monte Carlo ...
We discuss the possibility of implementing asynchronous replica-exchange (or parallel tempering) mol...
Abstract: Accelerated molecular dynamics (AMD) is an ef-ficient strategy for accelerating the sampli...
We study the dynamics of parallel tempering simulations, also known as the replica exchange techniqu...
Accelerated molecular dynamics (AMD) is an efficient strategy for accelerating the sampling of molec...
<p>We study the comparison of computational simulations of biomolecules to experimental data. We stu...
Accelerated molecular dynamics (AMD) is an efficient strategy for accelerating the sampling of molec...
We developed a replica exchange method that is effectively parallelizable even if the computational ...
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