Predicting the aptamer SYL3C–EpCAM complex's structure with the Martini-based simulation protocol-Reference-Cited by-同舟云学术

Predicting the aptamer SYL3C–EpCAM complex's structure with the Martini-based simulation protocol

Published:2021 Issue:12 Volume:23 Page:7066-7079
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Shang Xu¹²³⁴⁵^ORCID,Guan Zhen¹²³⁴⁵,Zhang Shuai¹²³⁴⁵,Shi Lulin¹²³⁴⁵,You Haihang¹²³⁴⁵

Affiliation:

1. State Key Laboratory of Computer Architecture

2. Institute of Computing Technology

3. Chinese Academy of Sciences

4. Beijing

5. China

Abstract

The Martini-based aptamer–protein complex structure prediction protocol includes two major stages: (a) aptamer structure's 3D modeling and prediction and (b) the aptamer–protein complex structure prediction. We performed a MetaD simulation with an enhanced Martini model to predict the aptamer–protein complex structure.

Funder

National Natural Science Foundation of China

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/D0CP05003B

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