Defang Ouyang, Sean C. Smith's Computational pharmaceutics : application of molecular PDF

By Defang Ouyang, Sean C. Smith

ISBN-10: 111857396X

ISBN-13: 9781118573969

ISBN-10: 1118573978

ISBN-13: 9781118573976

ISBN-10: 1118573986

ISBN-13: 9781118573983

ISBN-10: 1118573994

ISBN-13: 9781118573990

Molecular modeling thoughts were prevalent in drug discovery fields for rational drug layout and compound screening. Now those recommendations  are used to version or mimic the habit of molecules, and support us examine formula on the molecular point. Computational pharmaceutics allows us to appreciate the mechanism of drug supply, and to improve new drug supply systems.

The ebook discusses the modeling of alternative drug supply structures, together with cyclodextrins, strong dispersions, polymorphism prediction, dendrimer-based supply structures, surfactant-based micelle, polymeric drug supply platforms, liposome, protein/peptide formulations, non-viral gene supply structures, drug-protein binding, silica nanoparticles, carbon nanotube-based drug supply platforms, diamond nanoparticles and layered double hydroxides (LDHs) drug supply systems.

Although there are many latest books approximately rational drug layout with molecular modeling concepts, those concepts nonetheless glance mysterious and daunting for pharmaceutical scientists. This ebook fills the space among pharmaceutics and molecular modeling, and offers a scientific and total advent to computational pharmaceutics. It covers all introductory, complicated and expert degrees. It offers a wholly varied standpoint to pharmaceutical scientists, and should significantly facilitate the advance of pharmaceutics. It additionally is helping computational chemists to appear for the $64000 questions within the drug supply field.

This ebook is incorporated within the Advances in Pharmaceutical Technology booklet series.

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Extra resources for Computational pharmaceutics : application of molecular modeling in drug delivery

Sample text

They have long been used to aid the derivation of structures from powder diffraction data, particularly for pigments [79]. The ability to solve structures from powder data has advanced considerably, but it cannot locate protons. These are often placed in chemically reasonable positions, with the positions being optimised by a fixed cell periodic ab initio optimisation. This use of computer modelling to correct for the systematic errors in the positions of protons determined from X‐ray diffraction experiments is increasing.

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Accounts of Chemical Research, 42 (1), 117–126. L. (2013) Predicting crystal structures of organic compounds. Chemical Society Reviews, 9, 693–704. M. (2011) Current approaches to predicting molecular organic crystal structures. Crystallography Reviews, 17 (1), 3–52. , et al. (2008) A systematic experimental and ­theoretical study of the crystalline state of six chloronitrobenzenes. Crystal Growth and Design, 8 (1), 24–36. , et al. (2008) The observed and energetically feasible crystal structures of 5‐substituted uracils.

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Computational pharmaceutics : application of molecular modeling in drug delivery by Defang Ouyang, Sean C. Smith

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