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Publisher : public library of science Subject : enzymes
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Academic Journal

Enzyme sequestration by the substrate: An analysis in the deterministic and stochastic domains.

  • Authors : Petrides A; Department of Engineering, University of Cambridge, Cambridge, United Kingdom.; Vinnicombe G

Subjects: Enzymes*/Enzymes*/Enzymes*/chemistry ; Enzymes*/Enzymes*/Enzymes*/metabolism ; Enzymes*/Enzymes*/Enzymes*/physiology

  • Source: PLoS computational biology [PLoS Comput Biol] 2018 May 17; Vol. 14 (5), pp. e1006107. Date of Electronic Publication: 2018 May 17 (Print Publication: 2018).Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection

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Academic Journal

A new benchmark illustrates that integration of geometric constraints inferred from enzyme reaction chemistry can increase enzyme active site modeling accuracy.

  • Authors : Bertolani SJ; Department of Chemistry, University of California Davis, Davis, California, United States of America.; Siegel JB

Subjects: Catalytic Domain* ; Models, Molecular*; Enzymes/Enzymes/Enzymes/*chemistry

  • Source: PloS one [PLoS One] 2019 Apr 04; Vol. 14 (4), pp. e0214126. Date of Electronic Publication: 2019 Apr 04 (Print Publication: 2019).Publisher: Public Library of Science Country of Publication: United States NLM ID: 101285081 Publication Model: eCollection

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Academic Journal

Analyses of the Binding between Water Soluble C60 Derivatives and Potential Drug Targets through a Molecular Docking Approach.

Subjects: *DRUG target; *MOLECULAR docking; *FULLERENES

  • Source: PLoS ONE. 2/1/2016, Vol. 11 Issue 2, p1-21. 21p.

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Academic Journal

Computational quantum chemistry, molecular docking, and ADMET predictions of imidazole alkaloids of Pilocarpus microphyllus with schistosomicidal properties.

Subjects: IMIDAZOLES; QUANTUM chemistry; MOLECULAR docking

  • Source: PLoS ONE; 6/26/2018, Vol. 13 Issue 6, p1-23, 23p

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Academic Journal

A composite docking approach for the identification and characterization of ectosteric inhibitors of cathepsin K.

Subjects: *CATHEPSINS; *MOLECULAR docking; *BINDING sitesNATIONAL Cancer Institute (U.S.)

  • Source: PLoS ONE. 10/31/2017, Vol. 12 Issue 11, p1-21. 21p.

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Academic Journal

Chemical profile of Lippia thymoides, evaluation of the acetylcholinesterase inhibitory activity of its essential oil, and molecular docking and molecular dynamics simulations.

Subjects: ESSENTIAL oils; MOLECULAR dynamics; MOLECULAR docking

  • Source: PLoS ONE; 3/8/2019, Vol. 14 Issue 3, p1-17, 17p

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Academic Journal

Towards a critical evaluation of an empirical and volume-based solvation function for ligand docking.

Subjects: *SOLVATION; *MOLECULAR docking; *BIOACTIVE compounds

  • Source: PLoS ONE. 3/21/2017, Vol. 12 Issue 3, p1-19. 19p.

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Academic Journal

Identification of Novel Smoothened Ligands Using Structure-Based Docking.

Subjects: *MEMBRANE proteins; *MOLECULAR docking; *HOMEOSTASIS

  • Source: PLoS ONE. 8/4/2016, Vol. 11 Issue 8, p1-20. 20p.

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Academic Journal

Investigation into the Mode of Phosphate Activation in the 4-Hydroxy-4-Methyl-2-Oxoglutarate/4-Carboxy-4-Hydroxy-2-Oxoadipate Aldolase from Pseudomonas putida F1.

Subjects: *PSEUDOMONAS putida; *MOLECULAR docking; *CATALYTIC activity

  • Source: PLoS ONE. 10/14/2016, Vol. 11 Issue 10, p1-15. 15p.

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Academic Journal

Molecular docking studies of 3-bromopyruvate and its derivatives to metabolic regulatory enzymes: Implication in designing of novel anticancer therapeutic strategies.

Subjects: PYRUVATES; ENZYME inhibitors; ANTINEOPLASTIC agents

  • Source: PLoS ONE; 5/2/2017, Vol. 12 Issue 5, p1-15, 15p

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  • 1-10 of  382 results for ""MOLECULAR docking""