Molecular simulation as a computational pharmaceutics tool to predict drug solubility, solubilization processes and partitioning-Reference-Cited by-同舟云学术

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Molecular simulation as a computational pharmaceutics tool to predict drug solubility, solubilization processes and partitioning

Published:2019-04 Issue: Volume:137 Page:46-55
ISSN:0939-6411
Container-title:European Journal of Pharmaceutics and Biopharmaceutics
language:en
Short-container-title:European Journal of Pharmaceutics and Biopharmaceutics

Author:

Hossain Shakhawath,Kabedev Aleksei,Parrow Albin,Bergström Christel A.S.,Larsson Per^ORCID

Funder

Innovative Medicines Initiative Joint

European Union’s Seventh Framework Programme

EFPIA companies

Vinnova

Publisher

Elsevier BV

Subject

Pharmaceutical Science,General Medicine,Biotechnology

Reference146 articles.

1. Perspective on solvent use in the pharmaceutical industry;Constable;Org. Process Res. Dev.,2007

2. Drug delivery systems: entering the mainstream;Allen;Science,2004

3. Predicting aqueous solubility from structure;Delaney;Drug Discov. Today,2005

4. Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv database;Duarte Ramos Matos;J. Chem. Eng. Data,2017

5. Automatic GROMACS topology generation and comparisons of force fields for solvation free energy calculations;Lundborg;J. Phys. Chem. B,2014

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1. A hybrid approach to aqueous solubility prediction using COSMO-RS and machine learning;Chemical Engineering Research and Design;2024-09

2. Advancements in molecular simulation for understanding pharmaceutical pollutant Adsorption: A State-of-the-Art review;Journal of Molecular Liquids;2024-09

3. Predictions of biorelevant solubility change during dispersion and digestion of lipid-based formulations;European Journal of Pharmaceutical Sciences;2024-09

4. COSMOPharm: Drug–Polymer Compatibility of Pharmaceutical Amorphous Solid Dispersions from COSMO-SAC;Molecular Pharmaceutics;2024-07-30

5. STORMM: Structure and topology replica molecular mechanics for chemical simulations;The Journal of Chemical Physics;2024-07-15

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