Analysis of the conformational profiles of fenamates shows route towards novel, higher accuracy, force-fields for pharmaceuticals-Reference-Cited by-同舟云学术

Analysis of the conformational profiles of fenamates shows route towards novel, higher accuracy, force-fields for pharmaceuticals

Published:2015 Issue:12 Volume:17 Page:7936-7948
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Uzoh Ogaga G.¹²³⁴,Galek Peter T. A.⁵⁶⁴,Price Sarah L.¹²³⁴

Affiliation:

1. Department of Chemistry

2. University College London

3. London

4. UK

5. Cambridge Crystallographic Data Centre

6. Cambridge

Abstract

The conformational barriers of the fenamates which lead to conformational polymorphism can be represented by a novel, physically motivated, model intramolecular potential suitable for extension to other pharmaceuticals.

Funder

Engineering and Physical Sciences Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C4CP05525J

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4. The errors of our ways: taking account of error in computer-aided drug design to build confidence intervals for our next 25 years

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