Concepedia

Enhanced Sampling

Enhanced Sampling is a computational methodology in molecular dynamics that belongs to the class of conformational sampling techniques and is specifically designed to accelerate the exploration of free energy landscapes by overcoming kinetic bottlenecks inherent in standard simulations.

583

Publications

38.6K

Citations

1.4K

Authors

543

Institutions

Publications per year

2017–2026

307

Parents

Publications

583

Scalable molecular dynamics on CPU and GPU architectures with NAMD

J. C. Phillips, David J. Hardy, Julio D. C. Maia et al. · The Journal of Chemical Physics · 2020 · 3.3K citations · Full text

, , +17

Metadynamics

Alessandro Barducci, Massimiliano Bonomi, Michele Parrinello · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 1.2K citations · Full text

, , +13

Gaussian Accelerated Molecular Dynamics: Unconstrained Enhanced Sampling and Free Energy Calculation

Yinglong Miao, Victoria A. Feher, J. Andrew McCammon · Journal of Chemical Theory and Computation · 2015 · 895 citations · Full text

, , +16

Adaptive biasing force method for scalar and vector free energy calculations

Eric Darve, David Rodríguez‐Gómez, Andrew Pohorille · The Journal of Chemical Physics · 2008 · 883 citations · Full text

, , +17

A Time-Independent Free Energy Estimator for Metadynamics

Pratyush Tiwary, Michele Parrinello · The Journal of Physical Chemistry B · 2014 · 560 citations

, , +11

1–5 of 583

Authors

1.4K

  1. MP
    Michele Parrinello

    ETH Zurich, Switzerland

    38 publications · 6K citations

    29

    h-index

  2. JA
    J. Andrew McCammon

    University of California San Diego, United States

    20 publications · 2.8K citations

    18

    h-index

  3. PT
    Pratyush Tiwary

    University of Maryland, College Park, United States

    17 publications · 2.4K citations

    16

    h-index

  4. ME
    Mark E. Tuckerman

    New York University, United States

    14 publications · 1K citations

    14

    h-index

  5. YQ
    Yi Qin Gao

    Peking University, China

    12 publications · 944 citations

    12

    h-index

1–5 of 1.4K

Institutions

543

  1. ETH Zurich

    Zurich, Switzerland

    31 h-index

    101 publications

    13.8K citations

  2. Università della Svizzera italiana

    Lugano, Switzerland

    28 h-index

    73 publications

    9.7K citations

  3. Italian Institute of Technology

    Genoa, Italy

    22 h-index

    48 publications

    3.3K citations

  4. University of California San Diego

    San Diego, United States

    21 h-index

    78 publications

    8.4K citations

  5. University College London

    London, United Kingdom

    19 h-index

    70 publications

    3.5K citations

  6. New York University

    New York, United States

    18 h-index

    51 publications

    3.3K citations

  7. Centre National de la Recherche Scientifique

    Paris, France

    16 h-index

    66 publications

    8.7K citations

  8. University of Chicago

    Chicago, United States

    15 h-index

    65 publications

    4.6K citations

1–8 of 543

Venues

  1. Journal of Chemical Theory and Computation

    JCTC · 126 publications · 7.6K citations

    45

    h-index

  2. The Journal of Chemical Physics

    109 publications · 9.2K citations

    42

    h-index

  3. The Journal of Physical Chemistry B

    57 publications · 3K citations

    28

    h-index

  4. Journal of Computational Chemistry

    24 publications · 1.1K citations

    16

    h-index

  5. Journal of Chemical Information and Modeling

    JCIM · 21 publications · 1.3K citations

    15

    h-index

1–5