المؤلفون: Gentile D., Patamia V., Scala A., Sciortino M. T., Piperno A., Rescifina A.

المساهمون: Gentile, D., Patamia, V., Scala, A., Sciortino, M. T., Piperno, A., Rescifina, A.

مصطلحات موضوعية: COVID-19, Docking, Marine natural product, SARS-CoV-2, Virtual screening, Antiviral Agents, Betacoronavirus, Biological Products, Cysteine Endopeptidases, Databases Chemical, Humans, Models Molecular, Molecular Docking Simulation, Protease Inhibitors, Viral Nonstructural Proteins, Coronavirus Infections, Pandemics, Pneumonia Viral

وصف الملف: ELETTRONICO

العلاقة: info:eu-repo/semantics/altIdentifier/pmid/32340389; info:eu-repo/semantics/altIdentifier/wos/WOS:000533909300004; volume:18; issue:4 Article Number: 225; firstpage:1; lastpage:20; numberofpages:20; journal:MARINE DRUGS; http://hdl.handle.net/11570/3164123Test; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85083806988; https://www.mdpi.com/1660-3397/18/4/225Test

الإتاحة: https://doi.org/10.3390/md18040225Test
http://hdl.handle.net/11570/3164123Test
https://www.mdpi.com/1660-3397/18/4/225Test

المؤلفون: Rasheda Akter, Raju Dash, S. M. Zahid Hosen, Maruf Rubayed, Nusrat Jahan Mouri, Mahmuda Khatun, Md. Junaid, Mohammad Ali Moni, Tania Sharmin, M. Mostafa, Muhammad Shaiful Alam

المصدر: Medicinal Chemistry. 18:724-733

مصطلحات موضوعية: Plants, Medicinal, Databases, Factual, Database, Computer science, Drug discovery, Bioactive molecules, Chemical nomenclature, Collective intelligence, computer.software_genre, Type (biology), Drug development, Drug Discovery, Synonym (database), Common name, computer, Databases, Chemical

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1ff3398124ee465beb727469333bad61Test
https://doi.org/10.2174/1573406418666211129103458Test

المؤلفون: Xiaowen Dai, Yuan Xu, Haodi Qiu, Xu Qian, Mingde Lin, Lin Luo, Yang Zhao, Dingfang Huang, Yanmin Zhang, Yadong Chen, Haichun Liu, Yulei Jiang

المصدر: Journal of chemical information and modeling. 62(23)

مصطلحات موضوعية: Databases, Factual, General Chemical Engineering, General Chemistry, Library and Information Sciences, Amino Acids, Ligands, Protein Kinases, Protein Kinase Inhibitors, Databases, Chemical, Computer Science Applications

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ae9485385940eeaaa491f045c21198b7Test
https://pubmed.ncbi.nlm.nih.gov/36447388Test

المؤلفون: Satoshi, Kubota

المصدر: Methods in molecular biology (Clifton, N.J.). 2582

مصطلحات موضوعية: Research Design, Computational Biology, Proteins, Family, Databases, Chemical

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=pmid________::e9cf48aa89ab6f0afd6d5371e382acefTest
https://pubmed.ncbi.nlm.nih.gov/36370350Test

المؤلفون: Jing Ma, Jiahui Du, Lei Zhang, Zheng Cheng, Wei Li, Shuhua Li

المصدر: Physical Chemistry Chemical Physics. 24:1326-1337

مصطلحات موضوعية: Computer science, Ab initio, Datasets as Topic, General Physics and Astronomy, Molecular Dynamics Simulation, Dihedral angle, Machine learning, computer.software_genre, Machine Learning, symbols.namesake, Molecular dynamics, Quantum mechanics, Coulomb, Humans, Physical and Theoretical Chemistry, Artificial neural network, business.industry, Work (physics), Peptide Fragments, alpha-Synuclein, symbols, Quantum Theory, Thermodynamics, Artificial intelligence, van der Waals force, business, computer, Databases, Chemical, Energy (signal processing)

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3b9e9fb8ccd1ede5f5333b666feba7e7Test
https://doi.org/10.1039/d1cp03934bTest

المؤلفون: Eric W Sayers, Evan E Bolton, J Rodney Brister, Kathi Canese, Jessica Chan, Donald C Comeau, Ryan Connor, Kathryn Funk, Chris Kelly, Sunghwan Kim, Tom Madej, Aron Marchler-Bauer, Christopher Lanczycki, Stacy Lathrop, Zhiyong Lu, Francoise Thibaud-Nissen, Terence Murphy, Lon Phan, Yuri Skripchenko, Tony Tse, Jiyao Wang, Rebecca Williams, Barton W Trawick, Kim D Pruitt, Stephen T Sherry

المصدر: Nucleic Acids Res

مصطلحات موضوعية: Internet, PubMed, 0303 health sciences, National Library of Medicine (U.S.), 030302 biochemistry & molecular biology, Computational Biology, Genomics, United States, 03 medical and health sciences, ComputingMethodologies_PATTERNRECOGNITION, 0302 clinical medicine, Databases, Genetic, Genetics, Humans, Database Issue, Databases, Nucleic Acid, Databases, Protein, 030217 neurology & neurosurgery, Databases, Chemical, Biotechnology, 030304 developmental biology

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::986c142cdbab373f0978eb5ce073e98dTest
https://doi.org/10.1093/nar/gkab1112Test

المؤلفون: Luciana Scotti, Natália Ferreira de Sousa, Renata Priscila Costa Barros, Marcus Tullius Scotti, José Alixandre de Sousa Luis, Eugene N. Muratov

المصدر: Mini-Reviews in Medicinal Chemistry. 21:2657-2730

مصطلحات موضوعية: Pharmacology, Biological Products, Virtual screening, Database, 010405 organic chemistry, Drug candidate, Computer science, Drug Evaluation, Preclinical, General Medicine, computer.software_genre, 01 natural sciences, Natural (archaeology), 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, Identification (information), Pharmaceutical Preparations, Drug Discovery, Quality of Life, Humans, Structure based, Research article, computer, Databases, Chemical

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ece5fdc777ade21af1136a204d667554Test
https://doi.org/10.2174/1389557520666200730161549Test

المؤلفون: Santhosh Kumar Nagarajan, Honglae Sohn, Sathya Babu, Panneer Devaraju, Thirumurthy Madhavan

المصدر: Proteins: Structure, Function, and Bioinformatics. 90:704-719

مصطلحات موضوعية: Protein Conformation, Quantitative Structure-Activity Relationship, Computational biology, Molecular Dynamics Simulation, Ligands, Biochemistry, Molecular dynamics, Structural Biology, Somatostatin receptor 3, Humans, Receptors, Somatostatin, Amines, Binding site, Receptor, Molecular Biology, Density Functional Theory, G protein-coupled receptor, Binding Sites, Somatostatin receptor, Chemistry, Protein structure prediction, Lipids, Structural biology, Drug Design, Databases, Chemical, Protein Binding

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7dea9a5ebf9e45be4ab5da8994529f96Test
https://doi.org/10.1002/prot.26267Test

المؤلفون: Paul W. Ayers, Fanwang Meng, Jinfeng Huang, Yang Xi

المصدر: Scientific Data, Vol 8, Iss 1, Pp 1-11 (2021)
Scientific Data

مصطلحات موضوعية: Virtual screening, Statistics and Probability, Chemical descriptors, Data Descriptor, Computational chemistry, Computer science, Science, Computational biology, Library and Information Sciences, Permeability, Education, Machine Learning, Humans, Cheminformatics, Computer Science Applications, nervous system, Close relationship, Blood-Brain Barrier, Chemical diversity, Drug delivery, cardiovascular system, Blood brain barrier permeability, Cns disease, Statistics, Probability and Uncertainty, Bbb permeability, Databases, Chemical, Information Systems

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e385def4640117205ec61e5e9d37b587Test
https://doaj.org/article/c3f4848e91024306b4ebaae981aacc7cTest

المؤلفون: June-Soo Park, Weixin Kuang, Aolin Wang, Miaomiao Wang, Rachel Morello-Frosch, Dimitri Panagopoulos Abrahamsson, Tracey J. Woodruff, Ting Jiang

المصدر: J Am Soc Mass Spectrom

مصطلحات موضوعية: Phthalic Acids, Article, Screening analysis, Pregnancy, Tandem Mass Spectrometry, Structural Biology, Adverse health effect, Humans, Organic Chemicals, Spectroscopy, Chemistry, business.industry, Infant, Newborn, Environmental Exposure, Chemical industry, Fetal Blood, Data science, Identification (information), Tridecanedioic acid, Workflow, Maternal Exposure, Scale (social sciences), Female, Suspect, business, Databases, Chemical, Chromatography, Liquid

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::19d0039cb4e0214d36fd9bd6ca4b3726Test
https://doi.org/10.1021/jasms.1c00135Test