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  • 1-10 ل  9,320 نتائج ل ""Models, Molecular""
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Academic Journal

Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.

  • Authors : Metz A; Department of Pharmaceutical Chemistry, Philipps-University Marburg, Marbacher Weg 6, D-35032 Marburg, Germany.; Wollenhaupt J

Subjects: Aspartic Acid Endopeptidases*/Aspartic Acid Endopeptidases*/Aspartic Acid Endopeptidases*/chemistry ; Aspartic Acid Endopeptidases*/Aspartic Acid Endopeptidases*/Aspartic Acid Endopeptidases*/metabolism ; Ligands*

  • Source: Acta crystallographica. Section D, Structural biology [Acta Crystallogr D Struct Biol] 2021 Sep 01; Vol. 77 (Pt 9), pp. 1168-1182. Date of Electronic Publication: 2021 Aug 23.Publisher: John Wiley & Sons Country of Publication: United States NLM ID: 101676043 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

Structural Biology-Based Exploration of Subtype-Selective Agonists for Peroxisome Proliferator-Activated Receptors.

  • Authors : Miyachi H; Lead Exploration Unit, Drug Discovery Initiative, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033, Japan.

Subjects: Drug Discovery*/Drug Discovery*/Drug Discovery*/methods ; Ligands* ; Models, Molecular*

  • Source: International journal of molecular sciences [Int J Mol Sci] 2021 Aug 26; Vol. 22 (17). Date of Electronic Publication: 2021 Aug 26.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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Academic Journal

' All That Glitters Is Not Gold ': High-Resolution Crystal Structures of Ligand-Protein Complexes Need Not Always Represent Confident Binding Poses.

  • Authors : Chakraborti S; Molecular Biophysics Unit, Indian Institute of Science, Bengaluru 560012, Karnataka, India.; Hatti K

Subjects: Binding Sites* ; Ligands* ; Models, Molecular*

  • Source: International journal of molecular sciences [Int J Mol Sci] 2021 Jun 25; Vol. 22 (13). Date of Electronic Publication: 2021 Jun 25.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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Academic Journal

FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.

  • Authors : Lima GMA; BioMAX, MAX IV Laboratory, Fotongatan 2, 224 84 Lund, Sweden.; Jagudin E

Subjects: Ligands* ; Models, Molecular* ; Software*

  • Source: Acta crystallographica. Section D, Structural biology [Acta Crystallogr D Struct Biol] 2021 Jun 01; Vol. 77 (Pt 6), pp. 799-808. Date of Electronic Publication: 2021 May 14.Publisher: John Wiley & Sons Country of Publication: United States NLM ID: 101676043 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

PyPLIF HIPPOS-Assisted Prediction of Molecular Determinants of Ligand Binding to Receptors.

Subjects: Ligands* ; Models, Molecular*; Receptors, G-Protein-Coupled/Receptors, G-Protein-Coupled/Receptors, G-Protein-Coupled/*chemistry

  • Source: Molecules (Basel, Switzerland) [Molecules] 2021 Apr 22; Vol. 26 (9). Date of Electronic Publication: 2021 Apr 22.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Guest-protein incorporation into solvent channels of a protein host crystal (hostal).

  • Authors : Sprenger J; Department of Chemistry, University of Copenhagen, DK-2100 Copenhagen, Denmark.; Carey J

Subjects: Ligands* ; Models, Molecular*; Proteins/Proteins/Proteins/*chemistry

  • Source: Acta crystallographica. Section D, Structural biology [Acta Crystallogr D Struct Biol] 2021 Apr 01; Vol. 77 (Pt 4), pp. 471-485. Date of Electronic Publication: 2021 Mar 30.Publisher: John Wiley & Sons Country of Publication: United States NLM ID: 101676043 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

Influence of the Nucleophilic Ligand on the Reactivity of Carbonyl Rhenium(I) Complexes towards Methyl Propiolate: A Computational Chemistry Perspective.

  • Authors : Álvarez D; Departamento de Química Física y Analítica, Universidad de Oviedo, C/Julián Clavería 8, 33006 Oviedo, Asturias, Spain.; López-Castro E

Subjects: Ligands* ; Models, Chemical* ; Models, Molecular*

  • Source: Molecules (Basel, Switzerland) [Molecules] 2020 Sep 10; Vol. 25 (18). Date of Electronic Publication: 2020 Sep 10.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Atomic Details of Carbon-Based Nanomolecules Interacting with Proteins.

  • Authors : Di Costanzo L; Department of Agricultural Sciences, University of Naples Federico II, 100, 80055 Portici, Italy.; Geremia S

Subjects: Ligands* ; Models, Molecular*; Carbon/Carbon/Carbon/*pharmacology

  • Source: Molecules (Basel, Switzerland) [Molecules] 2020 Aug 04; Vol. 25 (15). Date of Electronic Publication: 2020 Aug 04.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

In Silico Prediction of the Dissociation Rate Constants of Small Chemical Ligands by 3D-Grid-Based VolSurf Method.

  • Authors : Huang S; Key Laboratory of Biorheological Science and Technology (Ministry of Education), Chongqing University, Chongqing 400044, China.; College of Bioengineering, Chongqing University, Chongqing 400044, China.

Subjects: Computational Biology*/Computational Biology*/Computational Biology*/methods ; Drug Discovery* ; Ligands*

  • Source: International journal of molecular sciences [Int J Mol Sci] 2020 Apr 02; Vol. 21 (7). Date of Electronic Publication: 2020 Apr 02.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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Academic Journal

Prediction of Protein-Ligand Interaction Based on the Positional Similarity Scores Derived from Amino Acid Sequences.

  • Authors : Karasev D; Department of Bioinformatics, Institute of Biomedical Chemistry, 119121 Moscow, Russia.; Sobolev B

Subjects: Amino Acid Sequence* ; Ligands* ; Models, Molecular*

  • Source: International journal of molecular sciences [Int J Mol Sci] 2019 Dec 18; Vol. 21 (1). Date of Electronic Publication: 2019 Dec 18.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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  • 1-10 ل  9,320 نتائج ل ""Models, Molecular""