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Microsecond timescale MD simulations at the transition state of PmHMGR predict remote allosteric residues

• Authors : Xuhui Huang; Fu Kit Sheong; Per-Ola Norrby

Subjects: Physics; 0303 health sciences; biology

• Source: Chemical Science

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Differences in the Nature of the Phosphoryl Transfer Transition State in Protein Phosphatase 1 and Alkaline Phosphatase: Insights from QM Cluster Models

• Authors : Rui Lai; Qiang Cui

Subjects: Metal ions in aqueous solution; 010402 general chemistry; Cleavage (embryo)

• Source: J Phys Chem B

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The Chd1 chromatin remodeler forms long-lived complexes with nucleosomes in the presence of ADP·BeF3− and transition state analogs

• Authors : Samaneh Ghassabi Kondalaji; Gregory D. Bowman; Ren Ren

Subjects: 0301 basic medicine; 030102 biochemistry & molecular biology; biology

• Source: Journal of Biological Chemistry. 294:18181-18191

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Transition state and product diffusion control by polymer–nanocrystal hybrid catalysts

• Authors : Alexey Boubnov; Simon R. Bare; Andrew R. Riscoe

Subjects: chemistry.chemical_classification; Materials science; biology

• Source: Nature Catalysis. 2:852-863

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Octahedral Trifluoromagnesate, an Anomalous Metal Fluoride Species, Stabilizes the Transition State in a Biological Motor

• Authors : Alfred A. Antson; Robert W. Molt; Yi Jin

Subjects: Letter; viruses; Fluorine-19 NMR

• Source: Ge, M, Robert W., M J, Jenkins, H T, Blackburn, G M, Jin, Y & Antson, A A 2021, ' Octahedral Trifluoromagnesate, an Anomalous Metal Fluoride Species, Stabilizes the

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Design, Synthesis and Enzymatic Inhibition of Novel Unusual Amino Acids as a Transition State Analogue of Amyloid Precursor Protein Peptide

• Authors : Faezeh Sadat Hosseini; Najme Edraki; Loghman Firoozpour

Subjects: chemistry.chemical_classification; biology; 010405 organic chemistry

• Source: International Journal of Peptide Research and Therapeutics. 26:2169-2177

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Crystal Structures of Streptomyces Coelicolor Methylmalonyl-CoA Epimerase with Substrate or Transition State Analog Contradicts a Simple General Acid-Base Catalytic Mechanism

• Authors : Lee M Stunkard; Aaron Benjamin; Tyler J. Huth

Subjects: Structural biology; biology; Stereochemistry

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1-(3-Tert-Butylphenyl)-2,2,2-Trifluoroethanone as a Potent Transition-State Analogue Slow-Binding Inhibitor of Human Acetylcholinesterase: Kinetic, MD and QM/MM Studies

• Authors : Patrick Masson; Sultan Darvesh; Ian R. Pottie

Subjects: Models, Molecular; Molecular model; Stereochemistry

• Source: BiomoleculesVolume 10Issue 12Biomolecules, Vol 10, Iss 1608, p 1608 (2020)

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The high‐energy transition state of the glutamate transporter homologue GltPh

• Authors : Didar Ciftci; Gerard H. M. Huysmans; Scott C. Blanchard

Subjects: Models, Molecular; Cell signaling; Amino Acid Transport System X-AG

• Source: The EMBO Journal

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Evaluating hydrophobic galactonoamidines as transition state analogs for enzymatic β-galactoside hydrolysis

• Authors : Susanne Striegler; Feng Wang; Logan Grant Mills

Subjects: Models, Molecular; Stereochemistry; Aspergillus oryzae

• Source: Bioorganic Chemistry. 77:144-151

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