المؤلفون: Jessica Lombino, Rosario Vallone, Maura Cimino, Maria Rita Gulotta, Giada De Simone, Maria Agnese Morando, Raffaele Sabbatella, Simona Di Martino, Mario Fogazza, Federica Sarno, Claudia Coronnello, Maria De Rosa, Chiara Cipollina, Lucia Altucci, Ugo Perricone, Caterina Alfano

المصدر: Clinical Epigenetics, Vol 15, Iss 1, Pp 1-16 (2023)

مصطلحات موضوعية: Epigenetic regulation, Lysine demethylases, KDM4 inhibitors, Fragment-based drug discovery (FBDD), KDM4A, Rational drug design, Medicine, Genetics, QH426-470

وصف الملف: electronic resource

العلاقة: https://doaj.org/toc/1868-7083Test

الوصول الحر: https://doaj.org/article/b96d859348f0461a9deca1a52950e217Test

المؤلفون: Joanna Słabońska, Subrahmanyam Sappati, Antoni Marciniak, Jacek Czub

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Molecular Biology, Pharmacology, Biotechnology, Infectious Diseases, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, rational drug design, extra acidic residue, conserved acidic residue, antituberculosis drug bedaquiline, antitubercular drug bedaquiline, specific hydrogen bond, potentially important avenue, mycobacterial atp synthase, bq antimicrobial spectrum, d32 markedly weakens, bq resistance associated, potentially broaden, mycobacterial target, bond belongs, thereby hindering, substantial fraction, sshb independent, sshb category, position 32, nonacidic residues, hb strength

العلاقة: https://figshare.com/articles/journal_contribution/Low-Barrier_Hydrogen_Bond_Determines_Target-Binding_Affinity_and_Specificity_of_the_Antitubercular_Drug_Bedaquiline/24961118Test

الإتاحة: https://doi.org/10.1021/acsmedchemlett.3c00509.s001Test
https://figshare.com/articles/journal_contribution/Low-Barrier_Hydrogen_Bond_Determines_Target-Binding_Affinity_and_Specificity_of_the_Antitubercular_Drug_Bedaquiline/24961118Test

المؤلفون: Yue Zhou, Todd B. Reynolds

المصدر: Journal of Fungi, Vol 10, Iss 3, p 171 (2024)

مصطلحات موضوعية: cryo-EM, structure biology, membrane-bound enzymes, antifungal development, drug resistance, rational drug design, Biology (General), QH301-705.5

وصف الملف: electronic resource

العلاقة: https://www.mdpi.com/2309-608X/10/3/171Test; https://doaj.org/toc/2309-608XTest

الوصول الحر: https://doaj.org/article/b263f084704e471dae03798a2f7f8c49Test

المؤلفون: Savić Jelena, Antonijević Marija, Crevar Milkica, Brborić Jasmina

المصدر: Arhiv za farmaciju, Vol 73, Iss 3, Pp 205-215 (2023)

مصطلحات موضوعية: cyclooxygenase-2 inhibitors, molecular interactions, rational drug design, protein-ligand interactions, b-hydroxy-b-arylpropanoic acids, Pharmacy and materia medica, RS1-441

وصف الملف: electronic resource

العلاقة: https://scindeks-clanci.ceon.rs/data/pdf/0004-1963/2023/0004-19632303205S.pdfTest; https://doaj.org/toc/0004-1963Test; https://doaj.org/toc/2217-8767Test

الوصول الحر: https://doaj.org/article/2a8c6fc644604cddb9767a88fd31547bTest

المؤلفون: Škerlová, Jana, Unterlass, Judith, Göttmann, Mona, Marttila, Petra, Homan, Evert, Helleday, Thomas, Jemth, Ann-Sofie, Stenmark, Pål

المصدر: Journal of Biological Chemistry. 295(33):11656-11668

مصطلحات موضوعية: de novo purine biosynthesis, nucleotide metabolism, cancer target, rational drug design, carboxyaminoimidazole ribonucleotide (CAIR), N-succinylcarboxamide-5-aminoimidazole ribonucleotide (SAICAR), phosphoribosylaminoimidazole carboxylase and phosphoribosylaminoimidazolesuccinocarboxamide synthetase (PAICS), prostate cancer, structural biology, purine, cancer therapy, drug design, nucleoside, nucleotide biosynthesis

وصف الملف: print

الوصول الحر: https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-186671Test
https://doi.org/10.1074/jbc.RA120.013695Test

المؤلفون: Pavan, Matteo, Moro, Stefano

المساهمون: Pavan, Matteo, Moro, Stefano

مصطلحات موضوعية: COVID-19, SARS-CoV-2, rational drug design, CADD, SBDD, homology modeling, docking, pharmacophore, protein–ligand interaction fingerprint, molecular dynamics

وصف الملف: ELETTRONICO

العلاقة: info:eu-repo/semantics/altIdentifier/wos/WOS:000947759600001; volume:24; issue:5; journal:INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES; https://hdl.handle.net/11577/3469493Test; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85149874870

الإتاحة: https://doi.org/10.3390/ijms24054401Test
https://hdl.handle.net/11577/3469493Test

المؤلفون: Yihe Pang, Bin Liu

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, rational drug design, native physiologic conditions, grained feature representations, capture complex structural, annotated disordered sequences, amino acid sequences, ablation analysis shown, unlabelled protein sequences, protein language models, three language models, lack stable three, critical biological processes, bert provided fine, lm provided high, functionally important proteins, predicting intrinsic disorder, protein intrinsic disorder, quality prediction results, disorder functions based, intrinsic disorder, protein structures, intrinsic disorders, evaluation results, biological properties, bert )

العلاقة: https://figshare.com/articles/journal_contribution/The_hyper-parameters_of_IDP-BERT_/24627467Test

الإتاحة: https://doi.org/10.1371/journal.pcbi.1011657.s003Test
https://figshare.com/articles/journal_contribution/The_hyper-parameters_of_IDP-BERT_/24627467Test

المؤلفون: Yihe Pang, Bin Liu

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, rational drug design, native physiologic conditions, grained feature representations, capture complex structural, annotated disordered sequences, amino acid sequences, ablation analysis shown, unlabelled protein sequences, protein language models, three language models, lack stable three, critical biological processes, bert provided fine, lm provided high, functionally important proteins, predicting intrinsic disorder, protein intrinsic disorder, quality prediction results, disorder functions based, intrinsic disorder, protein structures, intrinsic disorders, evaluation results, biological properties, bert )

العلاقة: https://figshare.com/articles/journal_contribution/The_description_of_the_disorder_function_benchmark_datasets_/24627464Test

الإتاحة: https://doi.org/10.1371/journal.pcbi.1011657.s002Test
https://figshare.com/articles/journal_contribution/The_description_of_the_disorder_function_benchmark_datasets_/24627464Test

المؤلفون: Yihe Pang, Bin Liu

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, rational drug design, native physiologic conditions, grained feature representations, capture complex structural, annotated disordered sequences, amino acid sequences, ablation analysis shown, unlabelled protein sequences, protein language models, three language models, lack stable three, critical biological processes, bert provided fine, lm provided high, functionally important proteins, predicting intrinsic disorder, protein intrinsic disorder, quality prediction results, disorder functions based, intrinsic disorder, protein structures, intrinsic disorders, evaluation results, biological properties, bert )

العلاقة: https://figshare.com/articles/journal_contribution/The_hyper-parameters_of_IDP-LM_for_disorder_prediction_/24627470Test

الإتاحة: https://doi.org/10.1371/journal.pcbi.1011657.s004Test
https://figshare.com/articles/journal_contribution/The_hyper-parameters_of_IDP-LM_for_disorder_prediction_/24627470Test

المؤلفون: Yihe Pang, Bin Liu

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, rational drug design, native physiologic conditions, grained feature representations, capture complex structural, annotated disordered sequences, amino acid sequences, ablation analysis shown, unlabelled protein sequences, protein language models, three language models, lack stable three, critical biological processes, bert provided fine, lm provided high, functionally important proteins, predicting intrinsic disorder, protein intrinsic disorder, quality prediction results, disorder functions based, intrinsic disorder, protein structures, intrinsic disorders, evaluation results, biological properties, bert )

العلاقة: https://figshare.com/articles/journal_contribution/Pearson_correlation_analysis_between_disorder_propensity_scores_predicted_by_IDP-LM_and_per-residue_confidence_score_pLDDT_produced_by_AlphaFold_on_the_CAID_dataset_/24627476Test

الإتاحة: https://doi.org/10.1371/journal.pcbi.1011657.s006Test
https://figshare.com/articles/journal_contribution/Pearson_correlation_analysis_between_disorder_propensity_scores_predicted_by_IDP-LM_and_per-residue_confidence_score_pLDDT_produced_by_AlphaFold_on_the_CAID_dataset_/24627476Test