Quantification of the electric field inside protein active sites and fullerenes-Reference-Cited by-同舟云学术

Quantification of the electric field inside protein active sites and fullerenes

Published:2021 Issue:27 Volume:23 Page:14755-14763
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Dhakad Ambuj¹²³⁴⁵,Jena Subhrakant¹²³⁴⁵,Sahoo Dipak Kumar¹²³⁴⁵^ORCID,Biswal Himansu S.¹²³⁴⁵^ORCID

Affiliation:

1. School of Chemical Sciences

2. National Institute of Science Education and Research (NISER) PO- Bhimpur-Padanpur

3. Bhubaneswar

4. India

5. Homi Bhabha National Institute

Abstract

The electric field inside a protein: a straightforward and efficient computational protocol to predict the vibrational Stark tuning rates at different active sites of proteins, fullerenes, and nano-onions.

Funder

Science and Engineering Research Board

Department of Atomic Energy, Government of India

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP01769A

Reference44 articles.

1. N+-C-H···O Hydrogen bonds in protein-ligand complexes

2. Noncovalent Carbon-Bonding Interactions in Proteins

3. Noncovalent Bonds between Tetrel Atoms

4. Halogen bonding and other σ-hole interactions: a perspective

5. Substituent Effects in the Noncovalent Bonding of SO2 to Molecules Containing a Carbonyl Group. The Dominating Role of the Chalcogen Bond

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