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1دورية أكاديميةComprehensive Evaluation of 10 Docking Programs on a Diverse Set of Protein–Cyclic Peptide Complexes
المؤلفون: Huifeng Zhao, Dejun Jiang, Chao Shen, Jintu Zhang, Xujun Zhang, Xiaorui Wang, Dou Nie, Tingjun Hou, Yu Kang
مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, offer valuable insights, favorable pharmacokinetic properties, affinity dg exhibiting, molecular docking techniques, e ., autodock, scoring function outperformed, predicting binding affinity, numerous docking programs, different docking programs, 10 docking programs, autodock crankpep yielded, therapeutic molecules owing, highly promising class, highest pearson ’, appropriate docking programs, selecting optimal conformations, autodock crankpep, docking power, binding conformations, scoring power, rosetta ’, appropriate combination, generated conformations
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2دورية أكاديمية
المؤلفون: Jiaqing Li, Tong Xu, Yalan Zheng, Dongdong Liu, Chen Zhang, Jianjun Li, Zhuo A. Wang, Yuguang Du
مصطلحات موضوعية: Biophysics, Biochemistry, Microbiology, Cell Biology, Molecular Biology, Biotechnology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, three glycosidic bond, streamlined workflow filters, providing novel insights, identifying structural changes, diverse glycosidic bonds, contain highly flexible, attracted significant attention, analyzed factors contributing, >- acetylneuraminic acid, 54 ± 0, virtual screening efficiency, containing small molecules, ineffective binding sites, accelerating aptamer development, novel binding mechanism, binding mechanism, small carbohydrates, screening aptamers, binding conformations
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3دورية أكاديمية
المؤلفون: Nicola Scafuri (1750738), Miguel A. Soler (9753964), Andrea Spitaleri (126869), Walter Rocchia (220929)
مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Molecular Biology, Neuroscience, Developmental Biology, Cancer, Infectious Diseases, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, putative structures generated, putative binding conformations, subsequently ranked, severe repercussions, haddock tool, functions allows, efficiently increase, discrimination capability, discrimination capabilities, computational efficiency
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4دورية أكاديمية
المؤلفون: Isabelle R. Taylor (10514939), Jon E. Paczkowski (6420749), Philip D. Jeffrey (391335), Brad R. Henke (1453429), Chari D. Smith (2307307), Bonnie L. Bassler (41611)
مصطلحات موضوعية: Biochemistry, Microbiology, Pharmacology, Biotechnology, Immunology, Infectious Diseases, Virology, Chemical Sciences not elsewhere classified, Quorum-Sensing Receptor RhlR, virulence factor production, Virulence Factor Production Pseudom., Inhibitor Mimetic Mutations, PqsE E 182W protein, virulence-controlling protein PqsE, combat P, binding conformations, S 285, antimicrobial agents, BB 391, role PqsE, inhibitor-mimetic mutations, Pseudomonas aeruginosa PqsE Enzyme ., quorum-sensing receptor, PqsE D 73A protein, inhibitor binding, PqsE residues E 182, drug discovery efforts
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المؤلفون: Nicola Scafuri (1750738), Miguel A. Soler (9753964), Andrea Spitaleri (126869), Walter Rocchia (220929)
مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Molecular Biology, Neuroscience, Developmental Biology, Cancer, Infectious Diseases, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, putative structures generated, putative binding conformations, subsequently ranked, severe repercussions, haddock tool, functions allows, efficiently increase, discrimination capability, discrimination capabilities, computational efficiency
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6دورية أكاديمية
المؤلفون: Ding, Yun, Fang, Ye, Moreno, Juana, Ramanujam, J, Jarrell, Mark, Brylinski, Michal
المصدر: Faculty Publications
مصطلحات موضوعية: CMS, Contact Mode Score, Ligand binding conformations, Molecular docking, RMSD, Root-mean-square deviation, XCMS, eXtended Contact Mode Score
الإتاحة: https://doi.org/10.1016/j.compbiolchem.2016.08.007Test
https://digitalcommons.lsu.edu/eecs_pubs/1432Test -
7دورية أكاديمية
المؤلفون: Ding, Yun, Fang, Ye, Moreno, Juana, Ramanujam, J., Jarrell, Mark, Brylinski, Michal
المصدر: Faculty Publications
مصطلحات موضوعية: CMS, Contact Mode Score, eXtended Contact Mode Score, Ligand binding conformations, Molecular docking, RMSD, Root-mean-square deviation, XCMS
وصف الملف: application/pdf
العلاقة: https://digitalcommons.lsu.edu/biosci_pubs/629Test; https://digitalcommons.lsu.edu/context/biosci_pubs/article/1628/viewcontent/629.pdfTest
الإتاحة: https://doi.org/10.1016/j.compbiolchem.2016.08.007Test
https://digitalcommons.lsu.edu/biosci_pubs/629Test
https://digitalcommons.lsu.edu/context/biosci_pubs/article/1628/viewcontent/629.pdfTest