Application of Q2MM to predictions in stereoselective synthesis-Reference-Cited by-同舟云学术

Application of Q2MM to predictions in stereoselective synthesis

Published:2018 Issue:60 Volume:54 Page:8294-8311
ISSN:1359-7345
Container-title:Chemical Communications
language:en
Short-container-title:Chem. Commun.

Author:

Rosales Anthony R.¹²³⁴,Quinn Taylor R.¹²³⁴,Wahlers Jessica¹²³⁴,Tomberg Anna⁵⁶⁷⁸⁹,Zhang Xin¹⁰¹¹¹²¹³¹⁴,Helquist Paul¹²³⁴,Wiest Olaf¹²³⁴¹⁰^ORCID,Norrby Per-Ola¹²³⁴⁵^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry

2. University of Notre Dame

3. Notre Dame

4. USA

5. Early Product Development

6. Pharmaceutical Sciences, IMED Biotech Unit

7. AstraZeneca

8. SE-431 83 Mölndal

9. Sweden

10. Lab of Computational Chemistry and Drug Design

11. School of Chemical Biology and Biotechnology

12. Peking University

13. Shenzhen Graduate School

14. Shenzhen 518055

Abstract

Transition state force fields derived by Quantum Guided Molecular Mechanics (Q2MM) allows the rapid and accurate prediction of stereoselectivity.

Funder

Office of International Science and Engineering

National Institute of General Medical Sciences

Division of Chemistry

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Metals and Alloys,Surfaces, Coatings and Films,General Chemistry,Ceramics and Composites,Electronic, Optical and Magnetic Materials,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CC/C8CC03695K

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