(Q41426709)

30 September 2017

title

Molecular modeling studies of Yersinia pestis dihydrofolate reductase (English)

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30 September 2017

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Aline A Oliveira

1

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30 September 2017

Magdalena N Rennó

2

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30 September 2017

César A de Matos

3

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30 September 2017

Morena D Bertuzzi

4

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30 September 2017

Teodorico C Ramalho

5

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30 September 2017

Carlos A M Fraga

6

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30 September 2017

Tanos C C França

7

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30 September 2017

publication date

1 October 2011

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Journal of Biomolecular Structure and Dynamics

30 September 2017

published in

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30 September 2017

volume

29

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30 September 2017

issue

2

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30 September 2017

page(s)

351-367

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Yersinia pestis, the cause of plague, is a recently emerged clone of Yersinia pseudotuberculosis

30 September 2017

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2,4-Diamino-5-benzylpyrimidines as antibacterial agents. 7. Analysis of the effect of 3,5-dialkyl substituent size and shape on binding to four different dihydrofolate reductase enzymes

21 January 2018

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Inhibition of Pneumocystis carinii, Toxoplasma gondii, and Mycobacterium avium dihydrofolate reductases by 2,4-diamino-5-[2-methoxy-5-(omega-carboxyalkyloxy)benzyl]pyrimidines: marked improvement in potency relative to trimethoprim and species selec

21 January 2018

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A docking study using atomistic conformers generated via elastic network model for cyclosporin A/cyclophilin A complex.

21 January 2018

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Computational model of the HIV-1 subtype A V3 loop: study on the conformational mobility for structure-based anti-AIDS drug design

21 January 2018

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Structure and dynamics of double helical DNA in torsion angle hyperspace: a molecular mechanics approach

21 January 2018

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Docking simulation and competitive experiments validate the interaction between the 2,5-xylidine inhibitor and Rigidoporus lignosus laccase

21 January 2018

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Molecular modeling of Mycobacterium tuberculosis DNA gyrase and its molecular docking study with gatifloxacin inhibitors

21 January 2018

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Computational studies of human galectin-1: role of conserved tryptophan residue in stacking interaction with carbohydrate ligands.

21 January 2018

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Homology modeling of GLUT4, an insulin regulated facilitated glucose transporter and docking studies with ATP and its inhibitors

21 January 2018

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Construction and assessment of reaction models of class I EPSP synthase: molecular docking and density functional theoretical calculations.

21 January 2018

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Computational study of the sulfonylated amino acid hydroxamates binding to the zinc ion within the active site of carbonic anhydrase

21 January 2018

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An insight to the dynamics of conserved water molecular triad in IMPDH II (human): recognition of cofactor and substrate to catalytic Arg 322.

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Conformational analysis of genotoxic benzo[a]pyrene- 7,8-dione-duplex DNA adducts using a molecular dynamics method

21 January 2018

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21 January 2018

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Insight derived from molecular dynamics simulation into substrate-induced changes in protein motions of proteinase K.

21 January 2018

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Conformational dynamics of human AP endonuclease in base excision and nucleotide incision repair pathways

21 January 2018

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Molecular dynamics studies on troponin (TnI-TnT-TnC) complexes: insight into the regulation of muscle contraction

21 January 2018

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21 January 2018

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Investigation of the effect of glycosylation on human prion protein by molecular dynamics

21 January 2018

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Computer-aided drug design of novel PLA2 inhibitor candidates for treatment of snakebite

21 January 2018

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Molecular docking studies to map the binding site of squalene synthase inhibitors on dehydrosqualene synthase of Staphylococcus aureus.

21 January 2018

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21 January 2018

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Virtual screening and drug design for PDE-5 receptor from traditional Chinese medicine database

21 January 2018

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Ligand-based dual target drug design for H1N1: swine flu--a preliminary first study

21 January 2018

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Structure-based and ligand-based drug design for HER 2 receptor

21 January 2018

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A novel strategy for designing the selective PPAR agonist by the "sum of activity" model

21 January 2018

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Homology models of the Yersinia pseudotuberculosis and Yersinia pestis general porins and comparative analysis of their functional and antigenic regions

21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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https://api.crossref.org/works/10.1080%2F07391102.2011.10507390

Conformation of Polypeptides and Proteins

21 January 2018

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https://api.crossref.org/works/10.1080%2F07391102.2011.10507390

Crystal structure of human dihydrofolate reductase complexed with folate

21 January 2018

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https://api.crossref.org/works/10.1080%2F07391102.2011.10507390

Crystal structures of recombinant human dihydrofolate reductase complexed with folate and 5-deazafolate

21 January 2018

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https://api.crossref.org/works/10.1080%2F07391102.2011.10507390

Further studies on the interaction of nonpolyglutamatable aminopterin analogs with dihydrofolate reductase and the reduced folate carrier as determinants of in vitro antitumor activity

21 January 2018

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https://api.crossref.org/works/10.1080%2F07391102.2011.10507390

A critical assessment of docking programs and scoring functions

21 January 2018

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https://api.crossref.org/works/10.1080%2F07391102.2011.10507390

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21 January 2018

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https://api.crossref.org/works/10.1080%2F07391102.2011.10507390

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21 January 2018

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https://api.crossref.org/works/10.1080%2F07391102.2011.10507390

Design of new chemotherapeutics against the deadly anthrax disease. Docking and molecular dynamics studies of inhibitors containing pyrrolidine and riboamidrazone rings on nucleoside hydrolase from Bacillus anthracis

21 January 2018

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https://api.crossref.org/works/10.1080%2F07391102.2011.10507390

A three-dimensional structure of Plasmodium falciparum serine hydroxymethyltransferase in complex with glycine and 5-formyl-tetrahydrofolate. Homology modeling and molecular dynamics.

21 January 2018

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The search for new DHFR inhibitors: a review of patents, January 2001 – February 2005

21 January 2018

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https://api.crossref.org/works/10.1080%2F07391102.2011.10507390

A 2.13 Å Structure ofE. coliDihydrofolate Reductase Bound to a Novel Competitive Inhibitor Reveals a New Binding Surface Involving the M20 Loop Region

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507390

10.1080/07391102.2011.10507390

21 January 2018

Identifiers

DOI

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30 September 2017

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