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Schrodinger LLC graphical user interface maestro
Graphical User Interface Maestro, supplied by Schrodinger LLC, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/maestro+graphical+user+interface/maestro+graphical+user+interface/pm39520616-294-1-6
Average 90 stars, based on 1 article reviews
graphical user interface maestro - by Bioz Stars, 2026-09
90/100 stars

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Article Title: Small molecule modulation of insulin receptor-insulin like growth factor-1 receptor heterodimers in human endothelial cells.
Article Snippet: The IGF-1R monomer was merged with the IR monomer from the crystal structure and the resulting dimer prepared using the Maestro graphical user interface (Schrodinger, LLC, New York, NY, 2017), using the protein preparation wizard to minimise steric clashes between residues and create disulfide links between the two monomers (Fig. S1).

Article Title: Design, synthesis and evaluation of sesamol-derived acetamides as dual inhibitors of monoamine oxidases and cholinesterases
Article Snippet: A set of sesamol-derived acetamides was designed, synthesized, and evaluated against monoamine oxidases (MAO-A and MAO-B) and cholinesterases (AChE and BChE) for targeting neurodegenerative diseases.. Most of the tested compounds showed inhibition activity at micromolar to nanomolar ranges.. The 3,4-dichoro derivative (compound 19) was the most potent MAO-A inhibitor (IC50= 0.053 ± 0.001 μM) while the 4-methyl analog (compound 16) emerged as a lead MAO-B inhibitor (IC50= 0.019 ± 0.001 μM) compared to the reference inhibitors clorgyline (MAO-A IC50= 0.096 ± 0.003 μM) and selegyline (MAO B IC50= 0.021 ± 0.002 μM).

Article Title: Design, Synthesis and Evaluation of Thioacetamide‐Tethered Thiadiazole‐1,2,4‐Triazole Hybrids as SHP2 Inhibitors for Cancer Therapy
Article Snippet: Src homology-2 (SH2) domain-containing phosphatase-2 (SHP2), the first protooncogenic phosphatase is a key mediator in the development and progression of various cancers.. Several allosteric sites have been identified in SHP2, inhibitors of which are being developed.. In the current study, we have designed and synthesized a library of 21 thioacetamide-tethered thiadiazole-1,2,4-triazole hybrids (compounds 16–36) and evaluated their in vitro SHP2 inhibitory potential.

Article Title: Small molecule modulation of insulin receptor-insulin like growth factor-1 receptor heterodimers in human endothelial cells
Article Snippet: The IGF-1R monomer was merged with the IR monomer from the crystal structure and the resulting dimer prepared using the Maestro graphical user interface (Schrodinger, LLC, New York, NY, 2017), using the protein preparation wizard to minimise steric clashes between residues and create disulfide links between the two monomers ( Figure S1 ).

Sequencing:

Article Title: Synthesis and preclinical evaluation of a novel fluorine-18 labeled small-molecule PET radiotracer for imaging of CXCR3 receptor in mouse models of atherosclerosis
Article Snippet: .. [34] The CXCR3 sequence was aligned with the CXCR4 sequence in PDB le 3ODU using default parameters of Maestro graphical user interface of Schrodinger Suite (Schrodinger LLC, NY). ..



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