Planar Chirality for Acid/Base Responsive Macrocyclic Pillararenes Induced by Amino Acid Derivatives: Molecular Dynamics Simulations and Machine Learning-Reference-Cited by-同舟云学术

Planar Chirality for Acid/Base Responsive Macrocyclic Pillararenes Induced by Amino Acid Derivatives: Molecular Dynamics Simulations and Machine Learning

Published:2023-05-08 Issue:14 Volume:19 Page:4364-4376
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Fu Lulu¹,Wang Ranran¹,Zhu Qiang¹^ORCID,Gu Yuming¹,Zheng Lifeng¹,Chen Yuan¹,Jiang Juli¹²^ORCID,Ma Jing¹^ORCID

Affiliation:

1. Key Laboratory of Mesoscopic Chemistry of Ministry of Education, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210023, P. R. China

2. MaAnShan High-Tech Research Institute of Nanjing University, MaAnShan 238200, P. R. China

Funder

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c01265

Reference57 articles.

1. Peptides used to make light-twisting nanoparticles

2. DNA melting and energetics of the double helix

3. Supramolecular Chirality in Self-Assembled Systems

4. Supramolecular Helical Systems: Helical Assemblies of Small Molecules, Foldamers, and Polymers with Chiral Amplification and Their Functions

5. Recognition and regulation of unique nucleic acid structures by small molecules

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