Fundamental and practical aspects of molecular dynamics using tensorial orientational constraints

Maria Enrica Di Pietroa Institute of Organic Chemistry and Institute for Biological Interfaces 4 – Magnetic Resonance, Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany;b Department of Chemistry, Materials and Chemical Engineering “Giulio Natta”, Politecnico di Milano, Milan, ItalyView further author information

Pavleta Tzvetkovaa Institute of Organic Chemistry and Institute for Biological Interfaces 4 – Magnetic Resonance, Karlsruhe Institute of Technology (KIT), Karlsruhe, GermanyView further author information

Thomas Glogea Institute of Organic Chemistry and Institute for Biological Interfaces 4 – Magnetic Resonance, Karlsruhe Institute of Technology (KIT), Karlsruhe, GermanyView further author information

Ulrich Sternberga Institute of Organic Chemistry and Institute for Biological Interfaces 4 – Magnetic Resonance, Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany;c COSMOS-Software, Jena, GermanyView further author information

Burkhard Luya Institute of Organic Chemistry and Institute for Biological Interfaces 4 – Magnetic Resonance, Karlsruhe Institute of Technology (KIT), Karlsruhe, GermanyCorrespondence[email protected]

https://orcid.org/0000-0001-9580-6397 View further author information

Citations (6)

Keep up to date with the latest research on this topic with citation updates for this article.

Read on this site (1)

. (2020) Zeev Luz Commemorative Issue. Liquid Crystals 47:13, pages 1877-1879.
Read now

Articles from other publishers (5)

Xiaolu Li, Xiaoliang Yang & Han Sun. 2023. Chiral Separations and Stereochemical Elucidation. Chiral Separations and Stereochemical Elucidation 505 549 .

Stefan Immel, Matthias Köck & Michael Reggelin. (2022) NMR-Based Configurational Assignments of Natural Products: How Floating Chirality Distance Geometry Calculations Simplify Gambling with 2 N–1 Diastereomers . Journal of Natural Products 85:7, pages 1837-1849.
Crossref

Stefan Immel, Matthias Köck & Michael Reggelin. (2022) Bayesian Inference Applied to NMR-Based Configurational Assignments by Floating Chirality Distance Geometry Calculations. Journal of the American Chemical Society 144:15, pages 6830-6838.
Crossref

Stefan Immel, Matthias Köck & Michael Reggelin. (2021) NMR-Based Configurational Assignments of Natural Products: Gibbs Sampling and Bayesian Inference Using Floating Chirality Distance Geometry Calculations. Marine Drugs 20:1, pages 14.
Crossref

Emine Sager, Pavleta Tzvetkova, Alvar D. Gossert, Philippe Piechon & Burkhard Luy. (2020) Determination of Configuration and Conformation of a Reserpine Derivative with Seven Stereogenic Centers Using Molecular Dynamics with RDC‐Derived Tensorial Constraints**. Chemistry – A European Journal 26:63, pages 14435-14444.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Fundamental and practical aspects of molecular dynamics using tensorial orientational constraints

Articles from other publishers (5)

Information for

Open access

Opportunities

Help and information

Your download is now in progress and you may close this window

Login or register to access this feature

Fundamental and practical aspects of molecular dynamics using tensorial orientational constraints

Citations (6)

Read on this site (1)

Articles from other publishers (5)

Reprints and Corporate Permissions

Academic Permissions

Related research

To cite this article:

Download citation

Information for

Open access

Opportunities

Help and information

Keep up to date