Concepedia

Structure-based Coarse-grained Models

Structure-Based Coarse-Grained Models is a coarse-grained modeling approach that derives its parameterization and topology directly from the three-dimensional structural information of a system, distinguishing itself by preserving native structural features to approximate equilibrium configurations and interactions.

45

Publications

3K

Citations

133

Authors

72

Institutions

Publications per year

2017–2026

18

Parents

Publications

45

An all‐atom structure‐based potential for proteins: Bridging minimal models with all‐atom empirical forcefields

Paul C. Whitford, Jeffrey K. Noel, Shachi Gosavi et al. · Proteins Structure Function and Bioinformatics · 2008 · 372 citations

, , +17

SMOG 2: A Versatile Software Package for Generating Structure-Based Models

Jeffrey K. Noel, Mariana Levi, Mohit Raghunathan et al. · PLoS Computational Biology · 2016 · 332 citations · Full text

, , +16

SMOG@ctbp: simplified deployment of structure-based models in GROMACS

Jeffrey K. Noel, Paul C. Whitford, Karissa Y. Sanbonmatsu et al. · Nucleic Acids Research · 2010 · 306 citations · Full text

, , +17

Combining the MARTINI and Structure-Based Coarse-Grained Approaches for the Molecular Dynamics Studies of Conformational Transitions in Proteins

Adolfo B. Poma, Marek Cieplak, Panagiotis E. Theodorakis · Journal of Chemical Theory and Computation · 2017 · 240 citations · Full text

, , +17

Coarse-Grained Peptide Modeling Using a Systematic Multiscale Approach

Zhou Jian, Ian F. Thorpe, Sergey Izvekov et al. · Biophysical Journal · 2007 · 192 citations · Full text

, , +8

1–5 of 45

Authors

133

  1. MC
    Marek Cieplak

    Polish Academy of Sciences, Poland

    5 publications · 325 citations

    5

    h-index

  2. JK
    Jeffrey K. Noel

    Center for Theoretical Biological Physics, United States

    3 publications · 1K citations

    3

    h-index

  3. JN
    José N. Onuchic

    Center for Theoretical Biological Physics, United States

    3 publications · 729 citations

    3

    h-index

  4. PC
    Paul C. Whitford

    Center for Theoretical Biological Physics, United States

    3 publications · 1K citations

    3

    h-index

  5. MG
    Marina Guenza

    University of Oregon, United States

    2 publications · 29 citations

    2

    h-index

1–5 of 133

Institutions

72

  1. Polish Academy of Sciences

    Warsaw, Poland

    6 h-index

    13 publications

    968 citations

  2. Center for Theoretical Biological Physics

    Houston, United States

    4 h-index

    15 publications

    4.8K citations

  3. Max Planck Institute for Polymer Research

    Mainz, Germany

    3 h-index

    9 publications

    425 citations

  4. University of Warsaw

    Warsaw, Poland

    3 h-index

    4 publications

    87 citations

  5. Stony Brook University

    Stony Brook, United States

    2 h-index

    2 publications

    116 citations

  6. State University of New York

    Albany, United States

    2 h-index

    2 publications

    116 citations

  7. Rice University

    Houston, United States

    2 h-index

    7 publications

    1.7K citations

  8. Institute of Physics

    Warsaw, Poland

    2 h-index

    3 publications

    84 citations

1–8 of 72

Venues

  1. The Journal of Chemical Physics

    6 publications · 369 citations

    6

    h-index

  2. PLoS Computational Biology

    3 publications · 448 citations

    3

    h-index

  3. Physical Chemistry Chemical Physics

    PCCP · 3 publications · 133 citations

    3

    h-index

  4. Proteins Structure Function and Bioinformatics

    2 publications · 408 citations

    2

    h-index

  5. Journal of Chemical Theory and Computation

    JCTC · 2 publications · 292 citations

    2

    h-index

1–5