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  • 1-10 ل  11,703 نتائج ل ""Models, Molecular""
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Subject : structure-activity relationship
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Academic Journal

Computational Method for Quantitative Comparison of Activity Landscapes on the Basis of Image Data.

  • Authors : Iqbal J; Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Endenicher Allee 19c, D-53115 Bonn, Germany.; Vogt M

Subjects: Drug Design* ; Drug Discovery* ; Machine Learning*

  • Source: Molecules (Basel, Switzerland) [Molecules] 2020 Aug 29; Vol. 25 (17). Date of Electronic Publication: 2020 Aug 29.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Structure and Conformational Properties of d-Glucose/d-Galactose-Binding Protein in Crowded Milieu.

  • Authors : Fonin AV; Institute of Cytology of the Russian Academy of Sciences, Laboratory of Structural Dynamics, Stability and Folding of Proteins, Tikhoretsky av. 4, St. Petersburg 197046, Russia. .; Silonov SA

Subjects: Models, Molecular* ; Molecular Conformation* ; Structure-Activity Relationship*

  • Source: Molecules (Basel, Switzerland) [Molecules] 2017 Feb 06; Vol. 22 (2). Date of Electronic Publication: 2017 Feb 06.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Maximum common substructure-based Tversky index: an asymmetric hybrid similarity measure.

  • Authors : Kunimoto R; Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstr. 2, 53113, Bonn, Germany.; Vogt M

Subjects: Models, Molecular* ; Structure-Activity Relationship*; Algorithms

  • Source: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2016 Jul; Vol. 30 (7), pp. 523-31. Date of Electronic Publication: 2016 Aug 11.Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

Asymmetric dynamic coupling promotes alternative evolutionary pathways in an enzyme dimer.

  • Authors : Ambrus V; MTA-DE Laboratory of Protein Dynamics, Department of Biochemistry and Molecular Biology, University of Debrecen, Debrecen, Hungary.; Hoffka G

Subjects: Evolution, Molecular* ; Protein Conformation* ; Structure-Activity Relationship*

  • Source: Scientific reports [Sci Rep] 2020 Nov 02; Vol. 10 (1), pp. 18866. Date of Electronic Publication: 2020 Nov 02.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Structure-based modeling of protein: DNA specificity.

Subjects: Models, Molecular* ; Structure-Activity Relationship*; DNA/DNA/DNA/*metabolism

  • Source: Briefings in functional genomics [Brief Funct Genomics] 2015 Jan; Vol. 14 (1), pp. 39-49. Date of Electronic Publication: 2014 Nov 19.Publisher: Oxford University Press Country of Publication: England NLM ID: 101528229 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

Structure-Function Relationship and Physiological Roles of Transient Receptor Potential Canonical (TRPC) 4 and 5 Channels.

  • Authors : Kim J; Department of Physiology, College of Medicine, Seoul National University, Seoul 03080, Korea.; Ko J

Subjects: Structure-Activity Relationship*; TRPC Cation Channels/TRPC Cation Channels/TRPC Cation Channels/*chemistry ; TRPC Cation Channels/TRPC Cation Channels/TRPC Cation Channels/*physiology

  • Source: Cells [Cells] 2019 Dec 27; Vol. 9 (1). Date of Electronic Publication: 2019 Dec 27.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101600052 Publication Model: Electronic Cited Medium: Internet ISSN: 2073-4409

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Academic Journal

Inhibitory potency of 8-methoxypsoralen on cytochrome P450 2A6 (CYP2A6) allelic variants CYP2A6 15, CYP2A6 16, CYP2A6 21 and CYP2A6 22: differential susceptibility due to different sequence locations of the mutations.

  • Authors : Tiong KH; School of Pharmacy and Health Sciences, International Medical University, Kuala Lumpur, Malaysia.; Mohammed Yunus NA

Subjects: Genetic Variation* ; Models, Molecular* ; Structure-Activity Relationship*

  • Source: PloS one [PLoS One] 2014 Jan 27; Vol. 9 (1), pp. e86230. Date of Electronic Publication: 2014 Jan 27 (Print Publication: 2014).Publisher: Public Library of Science Country of Publication: United States NLM ID: 101285081 Publication Model: eCollection Cited Medium: Internet

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Academic Journal

The continuous molecular fields approach to building 3D-QSAR models.

  • Authors : Baskin II; Faculty of Physics, M. V. Lomonosov Moscow State University, Leninskie Gory, 119991 Moscow, Russia. ; Zhokhova NI

Subjects: Databases, Protein* ; Models, Molecular* ; Quantitative Structure-Activity Relationship*

  • Source: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2013 May; Vol. 27 (5), pp. 427-42. Date of Electronic Publication: 2013 May 30.Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

Comparison of structure fingerprint and molecular interaction field based methods in explaining biological similarity of small molecules in cell-based screens.

  • Authors : Tiikkainen P; VTT Medical Biotechnology and University of Turku, P.O. Box 106, 20521 Turku, Finland. ; Poso A

Subjects: Algorithms* ; Drug Design* ; Drug Evaluation, Preclinical*

  • Source: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2009 Apr; Vol. 23 (4), pp. 227-39. Date of Electronic Publication: 2008 Dec 03.Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

Mutation Spectrum in TPO Gene of Bangladeshi Patients with Thyroid Dyshormonogenesis and Analysis of the Effects of Different Mutations on the Structural Features and Functions of TPO Protein through In Silico Approach.

  • Authors : Begum MN; Laboratory of Genetics and Genomics, Institute for Developing Science and Health Initiatives (ideSHi), Mohakhali, Dhaka 1212, Bangladesh.; Department of Genetic Engineering and Biotechnology, University of Dhaka, Dhaka 1000, Bangladesh.

Subjects: Structure-Activity Relationship*; Autoantigens/Autoantigens/Autoantigens/*genetics ; Congenital Hypothyroidism/Congenital Hypothyroidism/Congenital Hypothyroidism/*genetics Thyroid Dyshormonogenesis 1

  • Source: BioMed research international [Biomed Res Int] 2019 Feb 24; Vol. 2019, pp. 9218903. Date of Electronic Publication: 2019 Feb 24 (Print Publication: 2019).Publisher: Wiley Country of Publication: United States NLM ID: 101600173 Publication Model: eCollection Cited Medium: Internet ISSN: 2314-6141

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  • 1-10 ل  11,703 نتائج ل ""Models, Molecular""