المؤلفون: Elmeri M. Jokinen, Miika Niemeläinen, Sami T. Kurkinen, Jukka V. Lehtonen, Sakari Lätti, Pekka A. Postila, Olli T. Pentikäinen, Sanna P. Niinivehmas

المصدر: Molecules; Volume 28; Issue 8; Pages: 3420

مصطلحات موضوعية: molecular docking, docking rescoring, negative image-based rescoring (R-NiB), brute force negative image-based optimization (BR-NiB), pharmacophore (PHA) filtering, retinoic acid receptor-related orphan receptor gamma t (RORγt), virtual screening (VS), inflammation

جغرافية الموضوع: agris

وصف الملف: application/pdf

العلاقة: Medicinal Chemistry; https://dx.doi.org/10.3390/molecules28083420Test

الإتاحة: https://doi.org/10.3390/molecules28083420Test

المؤلفون: Sami T. Kurkinen, Jukka V. Lehtonen, Olli T. Pentikäinen, Pekka A. Postila

المصدر: International Journal of Molecular Sciences; Volume 23; Issue 14; Pages: 7871

مصطلحات موضوعية: molecular docking, docking rescoring, virtual screening, negative image-based rescoring (R-NiB), brute-force negative image-based optimization (BR-NiB), ligand-enhanced brute-force negative image-based optimization (LBR-NiB), pharmacophore modelling

جغرافية الموضوع: agris

وصف الملف: application/pdf

العلاقة: Molecular Pharmacology; https://dx.doi.org/10.3390/ijms23147871Test

الإتاحة: https://doi.org/10.3390/ijms23147871Test

المؤلفون: Mira Ahinko, Sami T. Kurkinen, Sanna P. Niinivehmas, Olli T. Pentikäinen, Pekka A. Postila

المصدر: International Journal of Molecular Sciences; Volume 20; Issue 11; Pages: 2779

مصطلحات موضوعية: negative image-based (NIB) screening, negative image-based rescoring (R-NiB), molecular docking, rigid docking, docking rescoring, virtual screening, structure-based drug discovery, cyclooxygenase-2 (COX-2)

جغرافية الموضوع: agris

وصف الملف: application/pdf

العلاقة: Molecular Biophysics; https://dx.doi.org/10.3390/ijms20112779Test

الإتاحة: https://doi.org/10.3390/ijms20112779Test

المؤلفون: Ahinko, Mira, Kurkinen, Sami, Niinivehmas, Sanna, Pentikäinen, Olli, Postila, Pekka

مصطلحات موضوعية: cyclooxygenase-2 (COX-2), docking rescoring, molecular docking, negative image-based (NIB) screening, negative image-based rescoring (R-NiB), rigid docking, structure-based drug discovery, virtual screening, molekyylilääketiede, lääkesuunnittelu, entsyymit, ligandit

وصف الملف: application/pdf; fulltext

العلاقة: International Journal of Molecular Sciences; 11; 20; Ahinko, M., Kurkinen, S., Niinivehmas, S., Pentikäinen, O., & Postila, P. (2019). A Practical Perspective : The Effect of Ligand Conformers on the Negative Image-Based Screening. International Journal of Molecular Sciences , 20 (11), Article 2779. https://doi.org/10.3390/ijms20112779Test; CONVID_31222556; TUTKAID_81710; URN:NBN:fi:jyu-201906183266; http://urn.fi/URN:NBN:fi:jyu-201906183266Test

الإتاحة: http://urn.fi/URN:NBN:fi:jyu-201906183266Test

المؤلفون: Sami T. Kurkinen, Sanna Niinivehmas, Mira Ahinko, Sakari Lätti, Olli T. Pentikäinen, Pekka A. Postila

المصدر: Frontiers in Pharmacology, Vol 9 (2018)

مصطلحات موضوعية: molecular docking, docking rescoring, negative image-based rescoring (R-NiB), benchmarking, consensus scoring, Therapeutics. Pharmacology, RM1-950

وصف الملف: electronic resource

العلاقة: http://journal.frontiersin.org/article/10.3389/fphar.2018.00260/fullTest; https://doaj.org/toc/1663-9812Test

الوصول الحر: https://doaj.org/article/a067cc41dd35456c9ed5bc6c29ad1c43Test

المؤلفون: Kurkinen, Sami, Niinivehmas, Sanna, Ahinko, Mira, Lätti, Sakari, Pentikäinen, Olli, Postila, Pekka

مصطلحات موضوعية: molecular docking, docking rescoring, negative image-based rescoring (R-NiB), consensus scoring, molekyylilääketiede, benchmarking

وصف الملف: application/pdf

العلاقة: Frontiers in Pharmacology; March; Kurkinen, S., Niinivehmas, S., Ahinko, M., Lätti, S., Pentikäinen, O., & Postila, P. (2018). Improving Docking Performance Using Negative Image-Based Rescoring. Frontiers in Pharmacology , 9 (March), Article 260. https://doi.org/10.3389/fphar.2018.00260Test; CONVID_27969553; TUTKAID_77174; URN:NBN:fi:jyu-201803271858; http://urn.fi/URN:NBN:fi:jyu-201803271858Test

الإتاحة: http://urn.fi/URN:NBN:fi:jyu-201803271858Test

المؤلفون: Postila, Sami T. Kurkinen, Jukka V. Lehtonen, Olli T. Pentikäinen, Pekka A.

المصدر: International Journal of Molecular Sciences; Volume 23; Issue 14; Pages: 7871

مصطلحات موضوعية: molecular docking, docking rescoring, virtual screening, negative image-based rescoring (R-NiB), brute-force negative image-based optimization (BR-NiB), ligand-enhanced brute-force negative image-based optimization (LBR-NiB), pharmacophore modelling

وصف الملف: application/pdf

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=multidiscipl::53dce398569183ade3eb7a3427f3ba4aTest

المؤلفون: Sami T. Kurkinen, Sanna Niinivehmas, Mira Ahinko, Sakari Lätti, Olli T. Pentikäinen, Pekka A. Postila

مصطلحات موضوعية: Pharmacology, Basic Pharmacology, Clinical Pharmacology and Therapeutics, Clinical Pharmacy and Pharmacy Practice, Pharmaceutical Sciences, Pharmacogenomics, Toxicology (incl. Clinical Toxicology), Pharmacology and Pharmaceutical Sciences not elsewhere classified, molecular docking, docking rescoring, negative image-based rescoring (R-NiB), benchmarking, consensus scoring

العلاقة: https://figshare.com/articles/dataset/DataSheet1_zip/6026003Test

الإتاحة: https://doi.org/10.3389/fphar.2018.00260.s001Test
https://figshare.com/articles/dataset/DataSheet1_zip/6026003Test