المؤلفون: Delgado Soler, Laura

المساهمون: University/Department: Universitat de Barcelona. Departament de Química Física

Thesis Advisors: Rubio Martínez, Jaime

المصدر: TDX (Tesis Doctorals en Xarxa)

مصطلحات موضوعية: Disseny de medicaments, Medicamentos -- Diseño, Drugs -- Design, Molecular modeling, Modelització molecular, Modelización molecular, Compostos antitumorals, Compuestos antitumorales, Antitumor compounds, Apoptosi, Apoptosis, Cicle cel·lular, Ciclo celular, Cell cycle, Ciències Experimentals i Matemàtiques

وصف الملف: application/pdf

URL الوصول: http://hdl.handle.net/10803/32013

المؤلفون: Bogucka, Agnieszka

المساهمون: Gloster, Tracey

مصطلحات موضوعية: Sulfatases, Heparan sulfate, Lysosomal storage, Fragment based screening, Heparin, Lysosomal storage diseases, Drugs--Design

URL الوصول: https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.870349

المؤلفون: Fontaine, Fabien

المساهمون: University/Department: Universitat Pompeu Fabra. Departament de Ciències Experimentals i de la Salut

Thesis Advisors: Pastor Maeso, Manuel

المصدر: TDX (Tesis Doctorals en Xarxa)

مصطلحات موضوعية: molecular shape, drugs design, molecules, computer simulation, diversity, QSAR (Biochemistry), simulación por ordenador, GRID, molecular interaction fields, QSAR (Bioquímica), VolSurf, diseño de medicamentos, moléculas, anchor-GRIND, GRIND, campos de interaccion moleculares, 3D-QSAR, forma molecular, diversidad, descriptotes moleculares, molecular descriptors

وصف الملف: application/pdf

URL الوصول: http://www.tdx.cat/TDX-0301105-092425
http://hdl.handle.net/10803/7080

المؤلفون: Dey, Ashley L.

المساهمون: Schofield, Christopher

مصطلحات موضوعية: Medicinal Chemistry, Drugs--Design

URL الوصول: https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.864678

المؤلفون: Hu, Zheyao, Martí Rabassa, Jordi

المساهمون: Universitat Politècnica de Catalunya. Doctorat en Física Computacional i Aplicada, Universitat Politècnica de Catalunya. Departament de Física, Universitat Politècnica de Catalunya. CCQM - Condensed, Complex and Quantum Matter Group

مصطلحات موضوعية: Àrees temàtiques de la UPC::Física, Drugs--Design, Oncogenes, Molecular mechanisms, Drug design, NRAS oncogenes, ISSI method, HM-387 compound, Medicaments--Disseny, Oncogens

وصف الملف: application/pdf

Relation: https://www.csbj.org/article/S2001-0370(24)00182-X/fulltext; Hu, Z.; Marti, J. Isomer-sourced structure iteration methods for in silico development of inhibitors: Inducing GTP-bound NRAS-Q61 oncogenic mutations to an «off-like» state. "Computational and structural biotechnology journal", 24 Maig 2024; http://hdl.handle.net/2117/408734

الاتاحة: http://hdl.handle.net/2117/408734
https://doi.org/10.1016/j.csbj.2024.05.038

المؤلفون: Michael Kinch

Resource Type: eBook.

الموضوعات: Pharmaceutical industry, Drugs--Research--Economic aspects, Drug development, Drugs--Design

Categories: MEDICAL / Pharmacy, BUSINESS & ECONOMICS / Development / Business Development, MEDICAL / Biotechnology

المؤلفون: Fucheng Song, Haoyang Sun, Xiaofang Ma, Wei Wang, Mingyuan Luan, Honglin Zhai, Guanmin Su, Yantao Liu

المصدر: Frontiers in Pharmacology, Vol 14 (2023)

مصطلحات موضوعية: SARS-CoVs, QSAR, unsymmetrical aromatic disulfides, molecular docking, drugs design, Therapeutics. Pharmacology, RM1-950

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fphar.2023.1185004/full; https://doaj.org/toc/1663-9812

URL الوصول: https://doaj.org/article/937619199b2947c699b4bdae9b7be493

المؤلفون: Jie Jack Li

Resource Type: eBook.

الموضوعات: Drugs--Design, Pharmaceutical industry--History, Drug development--United States

Categories: BUSINESS & ECONOMICS / Industries / General

المؤلفون: Alcolea Palafox, Mauricio, Belskaya, Nataliya, Kostova, Irena

مصطلحات موضوعية: 1,2,3-triazoles, Anticancer drugs design, Vibrational analysis, Scaling, Dimer calculation, Química, Farmacia, 23 Química

Time: 57, 544

وصف الملف: application/pdf

Relation: BG-RRP-2.004-0004-C01; Project 20-13-00089; Alcolea Palafox, M.; Belskaya, N.P.; Kostova, I.P. Peculiarities of the Spatial and Electronic Structure of 2-Aryl-1,2,3-Triazol-5-Carboxylic Acids and Their Salts on the Basis of Spectral Studies and DFT Calculations. Int. J. Mol. Sci. 2023, 24, 14001. https://doi.org/10.3390/ ijms241814001; https://hdl.handle.net/20.500.14352/109132

الاتاحة: https://hdl.handle.net/20.500.14352/109132
https://doi.org/10.3390/ijms241814001

المؤلفون: Lu, Huixia, Hu, Zheyao, Faraudo, Jordi, Martí Rabassa, Jordi

المساهمون: Universitat Politècnica de Catalunya. Departament de Física, Universitat Politècnica de Catalunya. Doctorat en Física Computacional i Aplicada, Universitat Politècnica de Catalunya. CCQM - Condensed, Complex and Quantum Matter Group

مصطلحات موضوعية: Àrees temàtiques de la UPC::Física, Àrees temàtiques de la UPC::Ciències de la salut::Medicina, Molecular dynamics, Drugs -- Design, Oncogenes, Drug design, KRAS4B-G12D oncogene, Dinàmica molecular, Medicaments -- Disseny, Oncogens

وصف الملف: 10 p.; application/pdf

Relation: https://pubs.rsc.org/en/content/articlehtml/2023/NR/D3NR04513G; Lu, H. [et al.]. In silico design of a lipid-like compound targeting KRAS4B-G12D through non-covalent bonds. "Nanoscale", 21 Novembre 2023, vol. 15, núm. 47, p. 19359-19368.; http://hdl.handle.net/2117/399707

الاتاحة: http://hdl.handle.net/2117/399707
https://doi.org/10.1039/D3NR04513G

المؤلفون: Serneels, Lutgarde, Narlawar, Rajeshwar, Perez Benito, Laura, Municoy Terol, Martí, Guallar Tasies, Victor, T'Syen, Dries, Dewilde, Maarten, Bischoff, François, Fraiponts, Erwin, Tresadern, Gary, Roevens, Peter W. M., Gijsen, Harrie J. M., De Strooper, Bart

المساهمون: Universitat Politècnica de Catalunya. Doctorat en Física Computacional i Aplicada

مصطلحات موضوعية: Àrees temàtiques de la UPC::Enginyeria química, Clinical chemistry, Drugs -- Design, Y-secretase, Inhibitors, Selectivity, Therapy, Medicinal chemistry, Química clínica, Medicaments -- Disseny

وصف الملف: application/pdf

Relation: https://www.jbc.org/article/S0021-9258(23)01822-7/fulltext; Serneels, L. [et al.]. Selective inhibitors of the PSEN1-gamma-secretase complex. "Journal of biological chemistry", Juny 2023, vol. 299, núm. 6, article 104794.; http://hdl.handle.net/2117/391964

الاتاحة: http://hdl.handle.net/2117/391964
https://doi.org/10.1016/j.jbc.2023.104794

المؤلفون: Rogers, Graeme W.

المساهمون: Taylor, Garry Lindsay, Westwood, Nicholas James

مصطلحات موضوعية: 615.1, QP609.N48R7, Neutral proteinases, Drugs--Design, Neuraminidase--Inhibitors, Enzyme inhibitors

URL الوصول: https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.750161

المؤلفون: Al Zoubi, Rufaida M.

الموضوعات: Cell receptors Structure-activity relationships., Drugs Design., Molecular dynamics., Chemical models., Drug Design, Models, Chemical, Récepteurs cellulaires Relations structure-activité., Médicaments Conception., Dynamique moléculaire., Modèles chimiques., Cell receptors Structure-activity relationships, Chemical models, Drugs Design, Molecular dynamics

مصطلحات الفهرس: Academic Dissertation, dissertations., Academic theses, Academic theses., Thèses et écrits académiques.

URL: http://libres.uncg.edu/ir/uncg/f/Alzoubi_uncg_0154D_12451.pdf

المؤلفون: Guest, Patrick

المساهمون: Gunn-Moore, Frank J., Smith, Terry K.

مصطلحات موضوعية: 616.8, Alzheimer's disease, Drug discovery, Enzyme inhibitor, QP603.D4G8, Dehydrogenases--Inhibitors, Drugs--Design, Alzheimer's disease--Treatment

URL الوصول: https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.707261

المؤلفون: Alderson, Rosanna Grace

المساهمون: Mitchell, John B. O.

مصطلحات موضوعية: 572, Evolution, Enzyme, Function, Superfamilies, Phylogenetics, Ancestral sequence reconstruction, Homology modeling, Bioinformatics, Sequence alignment, Drug discovery, QP601.A63, Enzymes, Molecular eveolution, Drugs--Design

URL الوصول: http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.707259

المؤلفون: Hu, Zheyao, Martí Rabassa, Jordi

المساهمون: Universitat Politècnica de Catalunya. Departament de Física, Universitat Politècnica de Catalunya. SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

مصطلحات موضوعية: Àrees temàtiques de la UPC::Física, Cell membranes, Drugs--Design, Molecular dynamics, Phospholipids, Benzothiadiazine derivatives, Drug design, Phospholipid membrane, Membranes cel·lulars, Medicaments--Disseny, Dinàmica molecular, Fosfolípids

وصف الملف: 17 p.; application/pdf

Relation: https://www.mdpi.com/2077-0375/12/3/331/htm; Hu, Z.; Marti, J. In silico drug design of benzothiadiazine derivatives interacting with phospholipid cell membranes. "Membranes", 17 Març 2022, vol. 12, núm. 3, 331, p. 1-17.; http://hdl.handle.net/2117/364894

الاتاحة: http://hdl.handle.net/2117/364894
https://doi.org/10.3390/membranes12030331

المؤلفون: Zagotto, Giuseppe, Bortoli, Marco

المصدر: Molecules, 2021, vol. 26, núm. 22, p. 7061 ; Articles publicats (D-Q)

مصطلحات موضوعية: Medicaments -- Disseny, Drugs -- Design

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/eissn/1420-3049; http://hdl.handle.net/10256/21232

الاتاحة: http://hdl.handle.net/10256/21232

المؤلفون: Bala, Surayya Ado, Kant, Shri Ojha, Yakasai, Adamu Garba

المصدر: Journal of Human Physiology; Vol. 2 , Iss. 2 (December 2020); 32-37 ; 2661-3859

مصطلحات موضوعية: Deep Learning, Medical Imaging, Drugs Design, Cheminformatics

وصف الملف: application/pdf; application/vnd.openxmlformats-officedocument.wordprocessingml.document

Relation: https://journals.bilpubgroup.com/index.php/jhp/article/view/2683/2491; https://journals.bilpubgroup.com/index.php/jhp/article/view/2683/4341; https://journals.bilpubgroup.com/index.php/jhp/article/view/2683

الاتاحة: https://journals.bilpubgroup.com/index.php/jhp/article/view/2683

المؤلفون: Abdalhameed, Manahil Mirghani Ali

الموضوعات: Anti-infective agents., Drugs Design., Antiinfectieux., Médicaments Conception., Anti-infective agents, Drugs Design

مصطلحات الفهرس: dissertations., Academic theses, Academic theses., Thèses et écrits académiques.

URL: http://libres.uncg.edu/ir/uncg/f/Abdalhameed_uncg_0154D_11799.pdf

المؤلفون: Shore, Derek M.

الموضوعات: Cannabinoids Receptors., Cannabinoids Physiological effect., Cannabinoids Therapeutic use., Molecules Models., Drugs Design., Cannabinoïdes Récepteurs., Cannabinoïdes Effets physiologiques., Cannabinoïdes Emploi en thérapeutique., Molécules Modèles., Médicaments Conception., Cannabinoids Physiological effect, Cannabinoids Therapeutic use, Drugs Design, Molecules Models

مصطلحات الفهرس: dissertations., Academic theses, Academic theses., Thèses et écrits académiques.

URL: http://libres.uncg.edu/ir/uncg/f/Shore_uncg_0154D_11578.pdf