A Strategy for Evaluating and Understanding the Interaction Energies of Hydrogen-Bonded Complexes Containing Peptide Amides and Nucleic Acid Bases

Li Shushi; Hao Jiaojiao; Wang Changsheng

Chinese︱Feedback︱Save this page

• Elaborating Academic Views 　　　　 • Exchanging Innovative Ideas
• Protecting Intellectual Properties 　　• Fast Sharing Science Papers

Sponsored by the Center for Science and Technology Development of the Ministry of Education
Supervised by Ministry of Education of the People's Republic of China

Home > Papers

A Strategy for Evaluating and Understanding the Interaction Energies of Hydrogen-Bonded Complexes Containing Peptide Amides and Nucleic Acid Bases

Li Shushi,Hao Jiaojiao,Wang Changsheng * #

School of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116029

*Correspondence author

#Submitted by

Subject:

Funding: Work supported by the National Natural Science Foundation of China （No.20973088, 21173109, 21133005), the Specialized Research Fund for the Doctoral Program of Higher Education of China）

Opened online: 9 January 2014

Accepted by: none

Citation: Li Shushi,Hao Jiaojiao,Wang Changsheng.A Strategy for Evaluating and Understanding the Interaction Energies of Hydrogen-Bonded Complexes Containing Peptide Amides and Nucleic Acid Bases[OL]. [ 9 January 2014] http://en.paper.edu.cn/en_releasepaper/content/4578501

A strategy is devised aiming to accurately and efficiently estimate the equilibrium hydrogen bond distances and interaction energies of complexes where the binding is dominated by hydrogen bonding. The strategy has included four essential ingredients of hydrogen bonding: the dipole-dipole interactions, the polarization interactions, van der Waals interactions and the covalency. The strategy can yield the equilibrium hydrogen bond distances and the interaction energies for hydrogen-bonded complexes as accurate as the high quality ab initio method MP2/aug-cc-pvTZ does, demonstrating the strategy proposed in this paper is reasonable. Base on the strategy, the components of the interaction energies for the hydrogen-bonded complexes are obtained and the nature of the hydrogen bonding is discussed. The strategy proposed in this paper has a definite physical meaning and points a new way for studying and understanding the hydrogen bonding in biosystems.

Keywords:hydrogen bond; interaction energy; dipole-dipole interaction

For this paper

● PDF (0B)
● Revision 0 　　
● Print this paper
● Recommend this paper to a friend
● Add to my favorite list

Saved Papers

Please enter a name for this paper to be shown in your personalized Saved Papers list

Tags

Add yours

Related Papers

Statistics

PDF Downloaded	140
Bookmarked	0
Recommend	5
Comments	Array

Submit your papers

Alert Name:
Alerting to:
Authentication email will be sent to your email address in 24 hours
Frequency:
Email Message Format:	Plain text Graphical(HTML)

Complete the form below and we will recommend the selected titles to your friends on your behalf. * Indicates a required field.
Your name*:
Your email address*:
Recipient's name*:
Recipient's email address*:
(multiple recipient's names and email addresses should be separated with semicolons)
Your comments:	I thought you would find the page(s) useful.

Your name:
Your email address:
Recipient's name:
Recipient's email address:
(multiple recipient's names and email addresses should be separated with semicolons)
Your comments:	I thought you would find this page useful.

Disclaimer: This message was sent to your friend using the "Send it to a friend" facility on the Sciencepaper Online’ WWW site, http://www.paper.edu.cn/en. The Sciencepaper Online is not responsible for the content of this email, and anything said in this email does not necessarily reflect the Sciencepaper Online's views.

	Check out RSS, or use RSS reader to subscribe this item

Saved Papers