Hybrid Molecular Dynamics for Elucidating Cooperativity Between Halogen Bond and Water Molecules During the Interaction of p53-Y220C and the PhiKan5196 Complex-Reference-Cited by-同舟云学术

Hybrid Molecular Dynamics for Elucidating Cooperativity Between Halogen Bond and Water Molecules During the Interaction of p53-Y220C and the PhiKan5196 Complex

Published:2020-05-07 Issue: Volume:8 Page:
ISSN:2296-2646
Container-title:Frontiers in Chemistry
language:
Short-container-title:Front. Chem.

Author:

Dong Tian-ge,Peng Hui,He Xue-feng,Wang Xiaocong,Gao Jun

Publisher

Frontiers Media SA

Subject

General Chemistry

Reference66 articles.

1. Halogen bonding in drug-like molecules: a computational and systematic study of the substituent effect;Adasme-Carreno;Rsc Adv.,2016

2. Multiscale modeling of enzymes: QM-cluster, QM/MM, and QM/MM/MD: a tutorial review;Ahmadi;Int. J. Quant. Chem.,2018

3. Cooperativity in multiple unusual weak bonds;Alkorta;Theor. Chem. Acc.,2010

4. “k-means++: the advantages of careful seeding,”;Arthur,2007

5. The hydration structure of methylthiolate from QM/MM molecular dynamics;Awoonor-Williams;J. Chem. Phys.,2018

Cited by 5 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Targeting the p53 signaling pathway in cancers: Molecular mechanisms and clinical studies;MedComm;2023-05-28

2. Targeting p53 pathways: mechanisms, structures, and advances in therapy;Signal Transduction and Targeted Therapy;2023-03-01

3. Solvable model of deep thermalization with distinct design times;J PHYS CHEM A;2022

4. Ability of Peripheral H Bonds to Strengthen a Halogen Bond;The Journal of Physical Chemistry A;2022-12-15

5. Unexpected Dynamic Binding May Rescue the Binding Affinity of Rivaroxaban in a Mutant of Coagulation Factor X;Frontiers in Molecular Biosciences;2022-05-05