Molecular Mechanism of Selective Binding of NMS-P118 to PARP-1 and PARP-2: A Computational Perspective-Reference-Cited by-同舟云学术

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Molecular Mechanism of Selective Binding of NMS-P118 to PARP-1 and PARP-2: A Computational Perspective

Published:2020-04-15 Issue: Volume:7 Page:
ISSN:2296-889X
Container-title:Frontiers in Molecular Biosciences
language:
Short-container-title:Front. Mol. Biosci.

Author:

Wang Ran,Cong Yalong,Li Mengxin,Bao Jinxiao,Qi Yifei,Zhang John Z. H.

Funder

Ministry of Science and Technology of the People's Republic of China

National Natural Science Foundation of China

Publisher

Frontiers Media SA

Subject

Biochemistry, Genetics and Molecular Biology (miscellaneous),Molecular Biology,Biochemistry

Reference59 articles.

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2. PARP inhibitors;Anwar;Hered. Cancer Clin. Pract.,2015

3. Hot-spots-guided receptor-based pharmacophores (HS-Pharm): a knowledge-based approach to identify ligand-anchoring atoms in protein cavities and prioritize structure-based pharmacophores;Barillari;J. Chem. Inf. Model.,2008

4. Free energy perturbation method for chemical reactions in the condensed phase: a dynamic approach based on a combined quantum and molecular mechanics potential;Bash;J. Am. Chem. Soc.,1987

5. Rapid experimental SAD phasing and hot-spot identification with halogenated fragments;Bauman;IUCrJ,2016

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