Effect of Atomic Charges on Octanol–Water Partition Coefficient Using Alchemical Free Energy Calculation-Reference-Cited by-同舟云学术

Effect of Atomic Charges on Octanol–Water Partition Coefficient Using Alchemical Free Energy Calculation

Published:2018-02-15 Issue:2 Volume:23 Page:425
ISSN:1420-3049
Container-title:Molecules
language:en
Short-container-title:Molecules

Author:

Ogata Koji^ORCID,Hatakeyama Makoto,Nakamura Shinichiro

Publisher

MDPI AG

Subject

Chemistry (miscellaneous),Analytical Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Molecular Medicine,Drug Discovery,Pharmaceutical Science

Link

http://www.mdpi.com/1420-3049/23/2/425/pdf

Reference58 articles.

1. p-σ-π Analysis. A Method for the Correlation of Biological Activity and Chemical Structure

2. Partition coefficients and their uses

3. Octanol‐Water Partition Coefficients of Simple Organic Compounds

4. A New Substituent Constant, π, Derived from Partition Coefficients

5. Generator Columns and High Pressure Liquid Chromatography for Determining Aqueous Solubilities and Octanol-Water Partition Coefficients of Hydrophobic Substances

Cited by 18 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. How Molecular Orientation Affects the Static Permittivity Profile of the Polar and Nonpolar Liquid–Liquid Interface;Langmuir;2024-07-13

2. Formulation and Physicochemical Characterization of Terpenocannabinoid-Functionalized Hemp Oil Emulsifier: Assessment of Topical Anti-Inflammatory, Antinociceptive, Wound Healing Activity and Cutaneous Toxicity Effects;Scientia Pharmaceutica;2024-06-21

3. Design and Evaluation of Synthesized Pyrrole Derivatives as Dual COX-1 and COX-2 Inhibitors Using FB-QSAR Approach;ACS Omega;2023-12-12

4. An in-silico receptor-pharmacophore based multistep molecular docking and simulation study to evaluate the inhibitory potentials against NS1 of DENV-2;Journal of Biomolecular Structure and Dynamics;2023-07-30

5. Efficient screening of protein-ligand complexes in lipid bilayers using LoCoMock score;Journal of Computer-Aided Molecular Design;2023-03-21