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Academic Journal

The Lateral Metalation of Isoxazolo[3,4- d ]pyridazinones towards Hit-to-Lead Development of Selective Positive Modulators of Metabotropic Glutamate Receptors.

  • Authors : Gates CA; Department of Biomedical and Pharmaceutical Sciences, University of Montana, 32 Campus Drive, Missoula, MT 59812, USA.; Backos DS

Subjects: Molecular Dynamics Simulation* ; Models, Chemical*; Allosteric Regulation

  • Source: Molecules (Basel, Switzerland) [Molecules] 2023 Sep 25; Vol. 28 (19). Date of Electronic Publication: 2023 Sep 25.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Finding the Right Solvent: A Novel Screening Protocol for Identifying Environmentally Friendly and Cost-Effective Options for Benzenesulfonamide.

  • Authors : Cysewski P; Department of Physical Chemistry, Pharmacy Faculty, Collegium Medicum of Bydgoszcz, Nicolaus Copernicus University in Toruń, Kurpińskiego 5, 85-096 Bydgoszcz, Poland.; Jeliński T

Subjects: Models, Chemical* ; Water*; Solvents

  • Source: Molecules (Basel, Switzerland) [Molecules] 2023 Jun 26; Vol. 28 (13). Date of Electronic Publication: 2023 Jun 26.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Mechanisms for Catalytic CO Oxidation on SiAu n ( n = 1-5) Cluster.

  • Authors : Zhang Y; College of Chemical Engineering, Guizhou Minzu University, Guiyang 550025, China.; Ren D

Subjects: Models, Chemical* ; Gold*; Oxidation-Reduction

  • Source: Molecules (Basel, Switzerland) [Molecules] 2023 Feb 17; Vol. 28 (4). Date of Electronic Publication: 2023 Feb 17.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Bubble Relaxation Dynamics in Homopolymer DNA Sequences.

  • Authors : Hillebrand M; Nonlinear Dynamics and Chaos Group, Department of Mathematics and Applied Mathematics, University of Cape Town, Rondebosch 7701, South Africa.; Kalosakas G

Subjects: Models, Chemical* ; DNA*/DNA*/DNA*/genetics ; DNA*/DNA*/DNA*/chemistry

  • Source: Molecules (Basel, Switzerland) [Molecules] 2023 Jan 20; Vol. 28 (3). Date of Electronic Publication: 2023 Jan 20.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Triel Bond Formed by Malondialdehyde and Its Influence on the Intramolecular H-Bond and Proton Transfer.

  • Authors : Wu Q; The Laboratory of Theoretical and Computational Chemistry, School of Chemistry and Chemical Engineering, Yantai University, Yantai 264005, China.; Yang S

Subjects: Models, Chemical* ; Protons*; Carbon

  • Source: Molecules (Basel, Switzerland) [Molecules] 2022 Sep 18; Vol. 27 (18). Date of Electronic Publication: 2022 Sep 18.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Application of COSMO-RS-DARE as a Tool for Testing Consistency of Solubility Data: Case of Coumarin in Neat Alcohols.

  • Authors : Cysewski P; Department of Physical Chemistry, Pharmacy Faculty, Collegium Medicum of Bydgoszcz, Nicolaus Copernicus University in Toruń, Kurpińskiego 5, 85-950 Bydgoszcz, Poland.; Jeliński T

Subjects: Alcohols* ; Models, Chemical*; Coumarins

  • Source: Molecules (Basel, Switzerland) [Molecules] 2022 Aug 18; Vol. 27 (16). Date of Electronic Publication: 2022 Aug 18.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

A Ten-Year Perspective on Twist-Bend Nematic Materials.

  • Authors : Mandle RJ; School of Physics and Astronomy, University of Leeds, Leeds LS2 9JT, UK.; School of Chemistry, University of Leeds, Leeds LS2 9JT, UK.

Subjects: Liquid Crystals*/Liquid Crystals*/Liquid Crystals*/chemistry ; Models, Chemical*; Molecular Conformation

  • Source: Molecules (Basel, Switzerland) [Molecules] 2022 Apr 21; Vol. 27 (9). Date of Electronic Publication: 2022 Apr 21.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Drug Solubility Correlation Using the Jouyban-Acree Model: Effects of Concentration Units and Error Criteria.

  • Authors : Rahimpour E; Pharmaceutical Analysis Research Center, Tabriz University of Medical Sciences, Tabriz 5165665811, Iran.; Infectious and Tropical Diseases Research Center, Tabriz University of Medical Sciences, Tabriz 5163639888, Iran.

Subjects: Algorithms* ; Models, Chemical*; Solubility

  • Source: Molecules (Basel, Switzerland) [Molecules] 2022 Mar 20; Vol. 27 (6). Date of Electronic Publication: 2022 Mar 20.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

The Removal of Time-Concentration Data Points from Progress Curves Improves the Determination of K m : The Example of Paraoxonase 1.

  • Authors : Petrič B; Institute of Biochemistry and Molecular Genetics, Faculty of Medicine, University of Ljubljana, 1000 Ljubljana, Slovenia.; Goličnik M

Subjects: Models, Chemical*; Aryldialkylphosphatase/Aryldialkylphosphatase/Aryldialkylphosphatase/*chemistry; Algorithms

  • Source: Molecules (Basel, Switzerland) [Molecules] 2022 Feb 15; Vol. 27 (4). Date of Electronic Publication: 2022 Feb 15.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

On the Photostability of Cyanuric Acid and Its Candidature as a Prebiotic Nucleobase.

Subjects: Models, Chemical* ; Photochemical Processes*; Triazines/Triazines/Triazines/*chemistry

  • Source: Molecules (Basel, Switzerland) [Molecules] 2022 Feb 10; Vol. 27 (4). Date of Electronic Publication: 2022 Feb 10.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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