Concepedia

Molecular Conformation Analysis

Molecular Conformation Analysis is a computational methodology within structural chemistry that determines the three-dimensional spatial arrangements of atoms in molecules and their dynamic interconversions, enabling the prediction of molecular behavior in size-exclusion separation processes.

3.6K

Publications

145.1K

Citations

10K

Authors

2K

Institutions

Publications per year

2017–2026

290

Parents

Publications

3.6K

Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

Curt M. Breneman, Kenneth B. Wiberg · Journal of Computational Chemistry · 1990 · 4.8K citations

, , +17

HIV-1 entry into quiescent primary lymphocytes: Molecular analysis reveals a labile, latent viral structure

Jerome A. Zack, Salvatore J. Arrigo, Stacy Weitsman et al. · Cell · 1990 · 1.5K citations

, , +17

Dependence of single-molecule junction conductance on molecular conformation

Latha Venkataraman, Jennifer E. Klare, Colin Nuckolls et al. · Nature · 2006 · 1.5K citations · Full text

, , +13

Molecular Conformation in Oligo(ethylene glycol)-Terminated Self-Assembled Monolayers on Gold and Silver Surfaces Determines Their Ability To Resist Protein Adsorption

Philipp Harder, M. Grunze, R. Dahint et al. · The Journal of Physical Chemistry B · 1998 · 1.3K citations

, , +17

Exploration of Chemical Compound, Conformer, and Reaction Space with Meta-Dynamics Simulations Based on Tight-Binding Quantum Chemical Calculations

Stefan Grimme · Journal of Chemical Theory and Computation · 2019 · 1.1K citations · Full text

, , +17

1–5 of 3.6K

Authors

10K

  1. HO
    Heinz Oberhammer

    University of Tübingen, Germany

    52 publications · 1.4K citations

    23

    h-index

  2. CO
    Carlos O. Della Védova

    Universidad Nacional de La Plata, Argentina

    38 publications · 907 citations

    19

    h-index

  3. NL
    Norman L. Allinger

    University of Georgia, United States

    21 publications · 2K citations

    18

    h-index

  4. RF
    Rui Fausto

    University of Coimbra, Portugal

    26 publications · 924 citations

    18

    h-index

  5. VB
    Vincenzo Barone

    Scuola Normale Superiore, Italy

    17 publications · 678 citations

    17

    h-index

1–5 of 10K

Institutions

2K

  1. Centre National de la Recherche Scientifique

    Paris, France

    32 h-index

    289 publications

    12.5K citations

  2. The University of Tokyo

    Tokyo, Japan

    26 h-index

    104 publications

    3.7K citations

  3. Indian Institute of Science Bangalore

    Bengaluru, India

    22 h-index

    89 publications

    3.2K citations

  4. Leiden University

    Leiden, The Netherlands

    20 h-index

    87 publications

    5.3K citations

  5. University of Coimbra

    Coimbra, Portugal

    20 h-index

    104 publications

    3.9K citations

  6. The University of Osaka

    Osaka, Japan

    19 h-index

    107 publications

    4.4K citations

  7. Universidad Nacional de La Plata

    La Plata, Argentina

    19 h-index

    146 publications

    3.4K citations

  8. University of Tübingen

    Tübingen, Germany

    18 h-index

    48 publications

    1.4K citations

1–8 of 2K

Venues

  1. Journal of the American Chemical Society

    JACS · 167 publications · 11K citations

    58

    h-index

  2. Journal of Computational Chemistry

    105 publications · 10.9K citations

    42

    h-index

  3. The Journal of Chemical Physics

    113 publications · 6.1K citations

    40

    h-index

  4. The Journal of Physical Chemistry A

    178 publications · 8.5K citations

    40

    h-index

  5. The Journal of Organic Chemistry

    JOC · 112 publications · 3.8K citations

    35

    h-index

1–5