Diffusion of energetic compounds through biological membrane: Application of classical MD and COSMOmic approximations-Reference-Cited by-同舟云学术

Diffusion of energetic compounds through biological membrane: Application of classical MD and COSMOmic approximations

Published:2018-01-19 Issue:1 Volume:37 Page:247-255
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Golius Anastasiia¹,Gorb Leonid²,Isayev Olexander³,Leszczynski Jerzy¹

Affiliation:

1. Department of Chemistry, Physics and Atmospheric Science, Jackson State University, Jackson, Mississippi, USA

2. Institute of Molecular Biology and Genetics, Kyiv, Ukraine

3. Division of Chemical Biology and Medicinal Chemistry, Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, North Carolina, USA

Funder

National Science Foundation

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2018.1424037

Reference40 articles.

1. Electronic structure calculations on workstation computers: The program system turbomole

2. Absorption and Drug Development

3. Prediction of Phospholipid–Water Partition Coefficients of Ionic Organic Chemicals Using the Mechanistic Model COSMOmic

4. Effect of Sodium Chloride on a Lipid Bilayer

5. Molecular docking of different inhibitors and activators to butyrylcholinesterase

Cited by 5 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. A comprehensive evaluation of liposome/water partition coefficient prediction models based on the Technique for Order Preference by Similarity to an Ideal Solution (TOPSIS) method: Challenges from different descriptor dimension reduction methods and machine learning algorithms;Journal of Hazardous Materials;2023-02

2. Mechanistic Understanding from Molecular Dynamics in Pharmaceutical Research 2: Lipid Membrane in Drug Design;Pharmaceuticals;2021-10-19

3. In Silico Prediction of the Thermodynamic Equilibrium of Solute Partition in Multiphase Complex Fluids: A Case Study of Oil–Water Microemulsion;Langmuir;2019-07-23

4. Molecular Simulation Studies on the Interactions of 2,4,6-Trinitrotoluene and Its Metabolites with Lipid Membranes;The Journal of Physical Chemistry B;2019-07-08

5. Diffusional interaction behavior of NSAIDs in lipid bilayer membrane using molecular dynamics (MD) simulation: Aspirin and Ibuprofen;Journal of Biomolecular Structure and Dynamics;2018-05-10