Concepedia

Molecular Alignment Constraints

Molecular Alignment Constraints is a geometric modeling construct in excluded volume theory that restricts the relative orientations of molecular entities based on steric hindrance and rotational degrees of freedom to prevent unphysical spatial overlaps in dense molecular assemblies.

34

Publications

1.8K

Citations

120

Authors

71

Institutions

Publications per year

2017–2026

7

Parents

Publications

34

NMR: prediction of molecular alignment from structure using the PALES software

Markus Zweckstetter · Nature Protocols · 2008 · 372 citations

, , +14

Variation of Molecular Alignment as a Means of Resolving Orientational Ambiguities in Protein Structures from Dipolar Couplings

Hashim M. Al‐Hashimi, Homayoun Valafar, Mark Terrell et al. · Journal of Magnetic Resonance · 2000 · 151 citations

, , +15

Toward Mimicking Viral Geometry with Metal-Organic Systems

Jerry L. Atwood, Leonard J. Barbour, Scott J. Dalgarno et al. · Journal of the American Chemical Society · 2004 · 151 citations

, , +12

Prediction of Charge-Induced Molecular Alignment of Biomolecules Dissolved in Dilute Liquid-Crystalline Phases

Markus Zweckstetter, Gerhard Hummer, Ad Bax · Biophysical Journal · 2004 · 118 citations · Full text

, , +13

Theory and computer simulation of bent-core molecules

Philip J. Camp, Michael P. Allen, Andrew J. Masters · The Journal of Chemical Physics · 1999 · 101 citations

, , +10

1–5 of 34

Authors

120

  1. MZ
    Markus Zweckstetter

    Max Planck Institute for Biophysical Chemistry, Germany

    4 publications · 527 citations

    4

    h-index

  2. VA
    Vincenz̊o Aquilanti

    University of Perugia, Italy

    2 publications · 90 citations

    2

    h-index

  3. GS
    Glauciete S. Maciel

    University of Perugia, Italy

    1 publications · 61 citations

    1

    h-index

  4. BE
    Brandon E. Hirsch

    KU Leuven, Belgium

    1 publications · 17 citations

    1

    h-index

  5. AM
    Ana M. Bragança

    KU Leuven, Belgium

    1 publications · 17 citations

    1

    h-index

1–5 of 120

Institutions

71

  1. Max Planck Institute for Biophysical Chemistry

    Göttingen, Germany

    4 h-index

    9 publications

    622 citations

  2. Centre National de la Recherche Scientifique

    Paris, France

    3 h-index

    8 publications

    400 citations

  3. Max Planck Society

    Munich, Germany

    3 h-index

    8 publications

    504 citations

  4. Tokyo Institute of Technology

    Tokyo, Japan

    2 h-index

    8 publications

    270 citations

  5. University of Leeds

    Leeds, United Kingdom

    2 h-index

    8 publications

    990 citations

  6. University of Perugia

    Perugia, Italy

    2 h-index

    6 publications

    238 citations

  7. Institute of Inorganic Methodologies and Plasmas

    Bari, Italy

    1 h-index

    1 publications

    29 citations

  8. Indian Institute of Technology Bombay

    Mumbai, India

    1 h-index

    1 publications

    33 citations

1–8 of 71

Venues

  1. Journal of Biomolecular NMR

    3 publications · 76 citations

    3

    h-index

  2. Chemical Physics Letters

    3 publications · 118 citations

    3

    h-index

  3. Journal of Computer-Aided Molecular Design

    2 publications · 53 citations

    2

    h-index

  4. Applied Physics B

    1 publications · 18 citations

    1

    h-index

  5. Japanese Journal of Applied Physics

    JJAP · 1 publications · 21 citations

    1

    h-index

1–5