المؤلفون: Amir Elalouf, Amit Yaniv Rosenfeld, Hanan Maoz

المصدر: Scientific Reports, Vol 14, Iss 1, Pp 1-22 (2024)

مصطلحات موضوعية: Computer-aided drug design, Serotonin receptors, Phytochemicals, Antidepressants, Medicine, Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2045-2322

URL الوصول: https://doaj.org/article/e7e38f9cdf2d4ac6aeec2164311757f7

المؤلفون: Hakjean Kim, Seongok Ryu, Nuri Jung, Jinsol Yang, Chaok Seok

المصدر: Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-13 (2024)

مصطلحات موضوعية: Chemical space search, Computer-aided drug design, Global optimization, Virtual synthesis, Information technology, T58.5-58.64, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1758-2946

URL الوصول: https://doaj.org/article/815d8210539b4efe8a2c68e680d91059

المؤلفون: Rodríguez Torrecillas, Ivan

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

Thesis Advisors: Campillo Grau, María Mercedes, Caltabiano, Gianluigi

المصدر: TDX (Tesis Doctorals en Xarxa)

مصطلحات موضوعية: Bioquimica, Diseño con ayuda de ordenador, P-glycoprotein, Transportadores ABC, Sesquiterpenes, Biochemistry, Computer aided drug design, ABC transporters

وصف الملف: application/pdf

URL الوصول: http://hdl.handle.net/10803/586099

المؤلفون: Steven M. Ewell, Hannah Burton, Bereket Mochona

المصدر: Current Issues in Molecular Biology, Vol 46, Iss 10, Pp 11220-11235 (2024)

مصطلحات موضوعية: molecular docking, molecular dynamics simulation, virtual screening, Computer-Aided Drug Design (CADD), receptor tyrosine kinases (RTKs), Biology (General), QH301-705.5

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1467-3045/46/10/666; https://doaj.org/toc/1467-3037; https://doaj.org/toc/1467-3045

URL الوصول: https://doaj.org/article/a4500ff115c3498f9d4f081edfdce668

المؤلفون: Gustavo Scheiffer, Karime Zeraik Abdalla Domingues, Daniela Gorski, Alexandre de Fátima Cobre, Raul Edison Luna Lazo, Helena Hiemisch Lobo Borba, Luana Mota Ferreira, Roberto Pontarolo

المصدر: EXCLI Journal : Experimental and Clinical Sciences, Vol 23, Pp 1117-1169 (2024)

مصطلحات موضوعية: neglected tropical diseases, computer-aided drug design, repositioning, docking, molecular dynamics, Neoplasms. Tumors. Oncology. Including cancer and carcinogens, RC254-282, Biology (General), QH301-705.5

وصف الملف: electronic resource

Relation: https://www.excli.de/excli/article/view/7552; https://doaj.org/toc/1611-2156

URL الوصول: https://doaj.org/article/3d49c0ed9fde4db5b6d030386a830199

المؤلفون: D. A. Varabyeu, A. D. Karpenko, A. V. Tuzikov, A. M. Andrianov

المصدر: Informatika, Vol 21, Iss 3, Pp 80-93 (2024)

مصطلحات موضوعية: generative ai, reinforcement learning, computer-aided drug design, molecular docking, hiv-1, gp120 protein, anti-hiv drugs, Electronic computers. Computer science, QA75.5-76.95

وصف الملف: electronic resource

Relation: https://inf.grid.by/jour/article/view/1298; https://doaj.org/toc/1816-0301

URL الوصول: https://doaj.org/article/8f1ff5a9add1419390b5798955cf34dc

المؤلفون: Roshni Bhatt, Ann Wang, Jacob D. Durrant

المصدر: Scientific Reports, Vol 14, Iss 1, Pp 1-11 (2024)

مصطلحات موضوعية: Ensemble virtual screening, Computer-aided drug design, Molecular docking, User-friendly software, Machine learning, Decision trees, Medicine, Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2045-2322

URL الوصول: https://doaj.org/article/a62640ae3c944338856352a9a8dabb8d

المؤلفون: Tianyi Liu, Hongli Yin, Xue Dong, Qingyang Hu, Xuejiao Hu, Wenxin Yan, Huanhuan Wang, Zhong Li

المصدر: Brazilian Journal of Pharmaceutical Sciences, Vol 61 (2025)

مصطلحات موضوعية: SIRT2, Neuroblastoma, Computer-aided drug design, Molecular dynamics simulation, Molecular docking, Pharmacy and materia medica, RS1-441

وصف الملف: electronic resource

Relation: http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1984-82502025000100328&lng=en&tlng=en; http://www.scielo.br/pdf/bjps/v61/2175-9790-bjps-61-e24400.pdf; https://doaj.org/toc/2175-9790

URL الوصول: https://doaj.org/article/a3788448c2984ca6864d69fdacdb5adf

المؤلفون: Meijuan Zhai, Shiliang Ji, Haoran Hu, Yongjie Wu, Yi Shi, Ruifang Zhu, Yiguo Jiang, Yang Yang

المصدر: Frontiers in Chemistry, Vol 12 (2025)

مصطلحات موضوعية: non-small cell lung cancer, PD-1 inhibitor, PD-L1 inhibitor, molecular docking, computer-aided drug design, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fchem.2024.1533541/full; https://doaj.org/toc/2296-2646

URL الوصول: https://doaj.org/article/fc90be51969642df9b5b0c56f43a8235

المؤلفون: Worachartcheewan, Apilak, Pingaew, Ratchanok, Prachayasittikul, Veda, Apiraksattayakul, Setthawut, Prachayasittikul, Supaluk, Ruchirawat, Somsak, Prachayasittikul, Virapong

مصطلحات موضوعية: thiazole, sulfonamide, antioxidant, QSAR, computer-aided drug design

Relation: https://dx.doi.org/10.17179/excli2024-7855_supplementary_information

الاتاحة: https://dx.doi.org/10.17179/excli2024-7855
https://www.excli.de/excli/article/view/7855

المؤلفون: Tao Zeng, Jiahao Li, Ruibo Wu

المصدر: Pharmaceutical Science Advances, Vol 2, Iss , Pp 100050- (2024)

مصطلحات موضوعية: Natural products, Database, Drug discovery, Cheminformatics, Computer-aided drug design, Pharmacy and materia medica, RS1-441, Therapeutics. Pharmacology, RM1-950

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2773216924000163; https://doaj.org/toc/2773-2169

URL الوصول: https://doaj.org/article/93d0407ce8624b148078933654dca73e

المؤلفون: Zhi-Zheng Wang, Jun Weng, Jing Qi, Xin-Xin Fu, Ban-Bin Xing, Yang Hu, Chun-Hsiang Huang, Chin-Yu Chen, Zigong Wei

المصدر: Journal of Enzyme Inhibition and Medicinal Chemistry, Vol 39, Iss 1 (2024)

مصطلحات موضوعية: Computer-aided drug design, antibiotics, Nocardia, dUTPase, Therapeutics. Pharmacology, RM1-950

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1475-6366; https://doaj.org/toc/1475-6374

URL الوصول: https://doaj.org/article/ac18eb85d6d44145bd23eadfbdec9365

المؤلفون: Xiuyuan Hu, Guoqing Liu, Quanming Yao, Yang Zhao, Hao Zhang

المصدر: Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-11 (2024)

مصطلحات موضوعية: Computer-aided drug design, Molecular generation, Molecular diversity, Shortest Hamiltonian circuit, Information technology, T58.5-58.64, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1758-2946

URL الوصول: https://doaj.org/article/c0d736e2d9cf4c51b97ec6bb283d90c3

المؤلفون: Allen Mathew Fortuno Cordero, Arthur A. Gonzales

المصدر: Current Issues in Molecular Biology, Vol 46, Iss 7, Pp 7592-7618 (2024)

مصطلحات موضوعية: molecular modeling, computer-aided drug design, dengue virus, NS2b-NS3 protease, phytochemicals, Biology (General), QH301-705.5

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1467-3045/46/7/451; https://doaj.org/toc/1467-3037; https://doaj.org/toc/1467-3045

URL الوصول: https://doaj.org/article/f4e463a82dff4036aaccc1398bc38b59

المؤلفون: Rehman, Ashfaq Ur, Khurshid, Beenish, Ali, Yasir, Rasheed, Salman, Wadood, Abdul, Ng, Ho-Leung, Chen, Hai-Feng, Wei, Zhiqiang, Luo, Ray, Zhang, Jian

المصدر: Expert Opinion on Drug Discovery. 18(3)

مصطلحات موضوعية: Pharmacology and Pharmaceutical Sciences, Biomedical and Clinical Sciences, Networking and Information Technology R&D (NITRD), Good Health and Well Being, Humans, Protein Binding, Drug Discovery, Proteins, Molecular Dynamics Simulation, Drug Delivery Systems, Computational Biology, Protein-protein interactions, Computer-aided drug design, computational approaches, machine-based learning, molecular dynamics simulations, docking, screening, Pharmacology & Pharmacy, Pharmacology and pharmaceutical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/8wh7g7rh

المؤلفون: Scheen, Jenke

المساهمون: Michel, Julien, Mey, Antonia, Kirrander, Adam

مصطلحات موضوعية: computational chemistry, computer-aided drug design, CADD, AFE science

URL الوصول: https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.884197

المؤلفون: Ali Irfan, Ameer Fawad Zahoor, Yassir Boulaamane, Sadia Javed, Huma Hameed, Amal Maurady, Muhammed Tilahun Muhammed, Sajjad Ahmad, Aamal A. Al-Mutairi, Irum Shahzadi, Sami A. Al-Hussain, Magdi E. A. Zaki

المصدر: Frontiers in Chemistry, Vol 12 (2024)

مصطلحات موضوعية: acefylline derivatives, Parkinson’s disease, computer-aided drug design approach, MAO-B inhibitors, molecular docking, molecular dynamics simulations, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fchem.2024.1449165/full; https://doaj.org/toc/2296-2646

URL الوصول: https://doaj.org/article/312cfb2526f9428a906bf9a1a766e73d

المؤلفون: Polina Savosina, Dmitry Druzhilovskiy, Dmitry Filimonov, Vladimir Poroikov

المصدر: Frontiers in Pharmacology, Vol 15 (2024)

مصطلحات موضوعية: approved drugs database, cheminformatics, computer-aided drug design, unified resource, World Wide Approved Drugs (WWAD), Therapeutics. Pharmacology, RM1-950

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fphar.2024.1473279/full; https://doaj.org/toc/1663-9812

URL الوصول: https://doaj.org/article/9130372a7d624bb288bbb322ef46ae85

المؤلفون: Nomagugu B. Ncube, Matshawandile Tukulula, Krishna G. Govender

المصدر: Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-14 (2024)

مصطلحات موضوعية: Computer-aided drug design, in silico techniques, Machine learning, AI, QSAR, Information technology, T58.5-58.64, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1758-2946

URL الوصول: https://doaj.org/article/e9c07905327b4700ba60ff22c340bdb2

المؤلفون: Rattanawan Tangporncharoen, Chuleeporn Phanus-Umporn, Supaluk Prachayasittikul, Chanin Nantasenamat, Veda Prachayasittikul, Aungkura Supokawej

المصدر: EXCLI Journal : Experimental and Clinical Sciences, Vol 23, Pp 818-832 (2024)

مصطلحات موضوعية: sphingosine-1-phosphate activators, quantitative structure-activity relationship, computer-aided drug design, osteoanabolic, quinoxalines, indoles, Neoplasms. Tumors. Oncology. Including cancer and carcinogens, RC254-282, Biology (General), QH301-705.5

وصف الملف: electronic resource

Relation: https://www.excli.de/excli/article/view/7214; https://doaj.org/toc/1611-2156

URL الوصول: https://doaj.org/article/a6ea64278c934e00bebecaf4fa3994a5