Analysis of Coxiela burnetti dihydrofolate reductase via in silico docking with inhibitors and molecular dynamics simulation-Reference-Cited by-同舟云学术

Analysis of Coxiela burnetti dihydrofolate reductase via in silico docking with inhibitors and molecular dynamics simulation

Published:2016-10-11 Issue:13 Volume:35 Page:2975-2986
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

de Souza Felipe Rodrigues¹,Guimarães Ana Paula²,Cuya Teobaldo³,de Freitas Matheus Puggina⁴,Gonçalves Arlan da Silva⁵,Forgione Pat⁶,Costa França Tanos Celmar¹⁶⁷

Affiliation:

1. Laboratory of Molecular Modeling Applied to Chemical and Biological Defense (LMCBD), Military Institute of Engineering, Rio de Janeiro, RJ, Brazil

2. Department of Chemistry, Federal University of Viçosa, Viçosa, MG, Brazil

3. Faculty of Technology, University of the State of Rio de Janeiro, Resende, RJ, Brazil

4. Department of Chemistry, Federal University of Lavras, Lavras, MG, Brazil

5. Federal Institute of Education, Science and Technology, Vila Velha, ES, Brazil

6. Department of Chemistry and Biochemistry, Concordia University, Montreal, Canada

7. Faculty of Management and Informatics, University Hradec Kralove, Hradec Kralove, Czech Republic

Funder

Brazilian financial agencies CNPq, FAPERJ

CAPES/MD (Edital PRODEFESA 2008

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2016.1239550

Reference44 articles.

1. Docking and molecular dynamics studies of peripheral site ligand–oximes as reactivators of sarin-inhibited human acetylcholinesterase

2. Bioterrorism Before and After September 11

3. Electrostatics of nanosystems: Application to microtubules and the ribosome

4. A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model

5. The Solution Structure of Bacillus anthracis Dihydrofolate Reductase Yields Insight into the Analysis of Structure−Activity Relationships for Novel Inhibitors

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