Illustration of a computational pipeline for evaluating cyclodextrin host–guest complex formation through conformational capture of bullvalene-Reference-Cited by-同舟云学术

Illustration of a computational pipeline for evaluating cyclodextrin host–guest complex formation through conformational capture of bullvalene

Author:

Shadfar Zahra¹²^ORCID,Yahiaoui Oussama³,Collier Thomas A.¹^ORCID,Fallon Thomas³^ORCID,Allison Jane R.²⁴⁵^ORCID

Affiliation:

1. Centre for Theoretical Chemistry and Physics, Institute of Natural and Mathematical Sciences, Massey University, Auckland 0632, New Zealand

2. Maurice Wilkins Centre for Molecular Biodiscovery and School of Biological Sciences, University of Auckland, Auckland 1010, New Zealand

3. Department of Chemistry, School of Physical Sciences, University of Adelaide, Adelaide, SA 5005, Australia

4. Digital Life Institute, University of Auckland, Auckland 1010, New Zealand

5. Biomolecular Interaction Centre, University of Canterbury, Private Bag 4800, Christchurch 8140, New Zealand

Funder

Rutherford Discovery Fellowship

University of Auckland School of Biological Sciences PBRF Research Fund

Marsden Fund

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference68 articles.

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