Preface: Special Topic on Enhanced Sampling for Molecular Systems

Alessandro Laio; Athanassios Z. Panagiotopoulos; Daniel M. Zuckerman

doi:10.1063/1.5049669

Preface: Special Topic on Enhanced Sampling for Molecular Systems

Alessandro Laio
, Athanassios Z. Panagiotopoulos
, Daniel M. Zuckerman

Research output: Contribution to journal › Editorial › peer-review

3 Scopus citations

Abstract

This special topic highlights recent developments in enhanced sampling methods for molecular-level simulations of chemical and biological systems. These methods are designed to enable more efficient exploration of phase space and extend the time scales that can be explored by simulations.

Original language	English (US)
Article number	072001
Journal	Journal of Chemical Physics
Volume	149
Issue number	7
DOIs	https://doi.org/10.1063/1.5049669
State	Published - Aug 21 2018

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.5049669

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title = "Preface: Special Topic on Enhanced Sampling for Molecular Systems",

abstract = "This special topic highlights recent developments in enhanced sampling methods for molecular-level simulations of chemical and biological systems. These methods are designed to enable more efficient exploration of phase space and extend the time scales that can be explored by simulations.",

author = "Alessandro Laio and Panagiotopoulos, \{Athanassios Z.\} and Zuckerman, \{Daniel M.\}",

note = "Publisher Copyright: {\textcopyright} 2018 Author(s).",

year = "2018",

month = aug,

day = "21",

doi = "10.1063/1.5049669",

language = "English (US)",

volume = "149",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

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T2 - Special Topic on Enhanced Sampling for Molecular Systems

AU - Laio, Alessandro

AU - Panagiotopoulos, Athanassios Z.

AU - Zuckerman, Daniel M.

PY - 2018/8/21

Y1 - 2018/8/21

N2 - This special topic highlights recent developments in enhanced sampling methods for molecular-level simulations of chemical and biological systems. These methods are designed to enable more efficient exploration of phase space and extend the time scales that can be explored by simulations.

AB - This special topic highlights recent developments in enhanced sampling methods for molecular-level simulations of chemical and biological systems. These methods are designed to enable more efficient exploration of phase space and extend the time scales that can be explored by simulations.

UR - https://www.scopus.com/pages/publications/85051346894

UR - https://www.scopus.com/pages/publications/85051346894#tab=citedBy

U2 - 10.1063/1.5049669

DO - 10.1063/1.5049669

M3 - Editorial

C2 - 30134673

AN - SCOPUS:85051346894

SN - 0021-9606

VL - 149

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 7

M1 - 072001

ER -

Preface: Special Topic on Enhanced Sampling for Molecular Systems

Abstract

All Science Journal Classification (ASJC) codes

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