Concepedia

Conformation-dependent Property Optimization

Conformation-Dependent Property Optimization is a computational methodology in physicochemical property optimization that specifically tailors molecular properties by accounting for the dynamic three-dimensional structural arrangements of molecules and their influence on observable characteristics.

30

Publications

921

Citations

125

Authors

54

Institutions

Publications per year

2017–2026

3

Parents

Publications

30

Optimization of Lyophilization Conditions for Recombinant Human Interleukin-2 by Dried-State Conformational Analysis Using Fourier-Transform Infrared Spectroscopy

Steven J. Prestrelski, Katherine A. Pikal, Tsutomu Arakawa · Pharmaceutical Research · 1995 · 150 citations

, , +15

A General Approach to the Optimization of the Conformation of Ring Molecules with an Application to Valinomycin

Richard Lavery, I. D. Parker, John Kendrick · Journal of Biomolecular Structure and Dynamics · 1986 · 76 citations

, , +14

Properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>AB</mml:mi></mml:math>copolymers with a special adsorption-tuned primary structure

E. A. Zheligovskaya, Pavel G. Khalatur, Alexei R. Khokhlov · Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics · 1999 · 61 citations

, , +17

Modeling the conformational preference, spectroscopic properties, UV light harvesting efficiency, biological receptor inhibitory ability and other physico-chemical properties of five imidazole derivatives using quantum mechanical and molecular mechanics tools

Jamelah S. Al‐Otaibi, Aljawhara H. Almuqrin, Y. Sheena Mary et al. · Journal of Molecular Liquids · 2020 · 47 citations

, , +17

Exploration of the Pharmacophore of 3-Alkyl-5-Arylimidazolidinediones as New CB<sub>1</sub>Cannabinoid Receptor Ligands and Potential Antagonists: Synthesis, Lipophilicity, Affinity, and Molecular Modeling

Frédéric Ooms, Johan Wouters, Olivier Oscari et al. · Journal of Medicinal Chemistry · 2002 · 43 citations · Full text

, , +17

1–5 of 30

Authors

125

  1. AR
    Alexei R. Khokhlov

    Lomonosov Moscow State University, Russia

    3 publications · 104 citations

    3

    h-index

  2. PG
    Pavel G. Khalatur

    Lomonosov Moscow State University, Russia

    3 publications · 104 citations

    3

    h-index

  3. AV
    Alexander V. Chertovich

    Lomonosov Moscow State University, Russia

    2 publications · 40 citations

    2

    h-index

  4. KA
    Katherine A. Pikal

    Amgen (United States), United States

    1 publications · 150 citations

    1

    h-index

  5. AP
    Aurica P. Chiriac

    Grigore T. Popa University of Medicine and Pharmacy, Romania

    1 publications · 14 citations

    1

    h-index

1–5 of 125

Institutions

54

  1. Lomonosov Moscow State University

    Moscow, Russia

    4 h-index

    7 publications

    187 citations

  2. Tver State University

    Tver', Russia

    3 h-index

    4 publications

    118 citations

  3. University of California, San Francisco

    San Francisco, United States

    2 h-index

    5 publications

    67 citations

  4. Russian Academy of Sciences

    Moscow, Russia

    2 h-index

    4 publications

    194 citations

  5. Universität Ulm

    Ulm, Germany

    2 h-index

    4 publications

    86 citations

  6. Pfizer (United States)

    New York, United States

    2 h-index

    16 publications

    199 citations

  7. Princess Nourah bint Abdulrahman University

    Riyadh, Saudi Arabia

    1 h-index

    2 publications

    94 citations

  8. Fatima Mata National College

    Kollam, India

    1 h-index

    1 publications

    47 citations

1–8 of 54

Venues

  1. Journal of Molecular Structure

    5 publications · 86 citations

    5

    h-index

  2. Journal of Chromatography A

    2 publications · 52 citations

    2

    h-index

  3. Journal of Molecular Structure THEOCHEM

    2 publications · 33 citations

    2

    h-index

  4. The European Physical Journal E

    1 publications · 29 citations

    1

    h-index

  5. The Journal of Physical Chemistry A

    1 publications · 17 citations

    1

    h-index

1–5