المؤلفون: James B. McAlpine, Guido F. Pauli, Shao-Nong Chen, Hyun Lee, Joo-Won Suh, Cele Abad-Zapatero, Nina M. Wolf, Sang-Hyun Cho, Bin Zhou, Scott G. Franzblau, Gauri Shetye, Jonathan Bisson, Hanki Lee, Yang Yu, Jinhua Cheng, Larry L. Klein, Ying-Yu Jin, Bernard D. Santarsiero

المصدر: J Nat Prod

مصطلحات موضوعية: medicine.drug_class, Stereochemistry, Antitubercular Agents, Pharmaceutical Science, Microbial Sensitivity Tests, Crystallography, X-Ray, Antimycobacterial, 01 natural sciences, Article, Analytical Chemistry, Drug Discovery, medicine, Streptomyces atratus, Uncategorized, Pharmacology, Molecular Structure, Strain (chemistry), 010405 organic chemistry, Extramural, Drug discovery, Chemistry, Organic Chemistry, Absolute configuration, Mycobacterium tuberculosis, Streptomyces, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, Complementary and alternative medicine, Molecular Medicine, Oligopeptides

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dd9a3473d6c6b013e25e1c673634883d
https://doi.org/10.1021/acs.jnatprod.9b01095

المؤلفون: Cele Abad-zapatero, Vivienne Baillie Gerritsen

المساهمون: The Pennsylvania State University CiteSeerX Archives

المصدر: http://ftp.expasy.ch/spotlight/pdf/sptlt108.pdf.

وصف الملف: application/pdf

Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.521.8613; http://ftp.expasy.ch/spotlight/pdf/sptlt108.pdf

الاتاحة: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.521.8613
http://ftp.expasy.ch/spotlight/pdf/sptlt108.pdf

المؤلفون: Cele Abad-Zapatero

المساهمون: The Pennsylvania State University CiteSeerX Archives

المصدر: http://tigger.uic.edu/labs/caz/downloads/DRUDIS321_final_printed.pdf.

مصطلحات موضوعية: Five, from rule-of-thumb to

وصف الملف: application/pdf

Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.646.363; http://tigger.uic.edu/labs/caz/downloads/DRUDIS321_final_printed.pdf

الاتاحة: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.646.363
http://tigger.uic.edu/labs/caz/downloads/DRUDIS321_final_printed.pdf

المؤلفون: Ryan Patwell, Ram Samudrala, Maxwell Wiley Rutter, Cele Abad-Zapatero, Alexey Dementiev, Hiten J. Gutka, Shahila Mehboob, Farahnaz Movahedzadeh, Mashal M. Almutairi, Nina M. Wolf, Jasper Marc G. Bondoc

المصدر: Acta Crystallogr F Struct Biol Commun

مصطلحات موضوعية: 0303 health sciences, biology, Chemistry, media_common.quotation_subject, Mycobacterium smegmatis, 030302 biochemistry & molecular biology, Biophysics, Condensed Matter Physics, biology.organism_classification, Biochemistry, Research Communications, law.invention, Mycobacterium tuberculosis, 03 medical and health sciences, Acyl carrier protein, Structural Biology, law, Identity (philosophy), Genetics, biology.protein, Crystallization, 030304 developmental biology, media_common

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::07b86ccba24d6944455b0c44bd7e3c31
https://doi.org/10.1107/s2053230x2000271x

المؤلفون: Cele Abad-Zapatero, Nuria B. Centeno, Ellen Y. Cotrina, Jordi Quintana, Daniel Blasi, Marta Vila, Antoni Planas, Gemma Arsequell

المساهمون: Ministerio de Economía y Competitividad (España)

المصدر: Digital.CSIC. Repositorio Institucional del CSIC
instname

مصطلحات موضوعية: Clinical Biochemistry, Pharmaceutical Science, Context (language use), Ligands, 01 natural sciences, Biochemistry, Transthyretin, Plot (graphics), LEI-based approach, chemistry.chemical_compound, Structure-Activity Relationship, TTR tetramer stabilizer, Humans, Prealbumin, Molecular Biology, Ligand efficiency, 010405 organic chemistry, Iododiflunisal, Drug discovery, Inhibitors, Organic Chemistry, Ligand efficiency indices (LEI), Multiple-criteria decision analysis, Diflunisal, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, Kinetics, chemistry, Lipinski's rule of five, Mutagenesis, Site-Directed, Molecular Medicine, Protein Multimerization, Biological system, Lead compound, Protein Binding, Protein–ligand interactions

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ee9d96da3a99b1a1a029382c9abd1ca0
http://hdl.handle.net/10261/222524

المؤلفون: Cele Abad-Zapatero

المصدر: Acta Crystallographica Section D Biological Crystallography. 70:907-911

مصطلحات موضوعية: media_common.quotation_subject, Proteins, Art history, A protein, General Medicine, Rose (topology), Art, Crystallography, X-Ray, Theoretical physics, Structural Biology, Beauty, Selection (linguistics), Meaning (existential), Symmetry (geometry), media_common

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5ccaba0b1ed405e99be306d8b2893b74
https://doi.org/10.1107/s1399004713032859

المؤلفون: Serge Christmann-Franck, Daniel Cravo, Cele Abad-Zapatero

المصدر: Molecular informatics. 30(2-3)

مصطلحات موضوعية: Structural Biology, Organic Chemistry, Drug Discovery, Molecular Medicine, Computer Science Applications

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::03ce57090ded84e1cd456dfe0b31b1cf
https://pubmed.ncbi.nlm.nih.gov/27466765

المؤلفون: Cele Abad-Zapatero, Anil Vasudevan, Clara I. Villamil, Kent D. Stewart, Tetsuro Oie, Mary K. Verzal, Stevan W. Djuric

المصدر: Bioorganic & Medicinal Chemistry Letters. 22:4502-4505

مصطلحات موضوعية: Models, Molecular, Indazoles, Molecular Structure, Hydrogen bond, Chemistry, Stereochemistry, Organic Chemistry, Clinical Biochemistry, Pharmaceutical Science, Ring (chemistry), Vascular Endothelial Growth Factor Receptor-2, Biochemistry, Tautomer, Structure-Activity Relationship, Isomerism, Drug Discovery, Structural isomer, Molecular Medicine, Kinase activity, Protein Kinase Inhibitors, Molecular Biology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8d70b7f4aef8839d746661ba8fe73f34
https://doi.org/10.1016/j.bmcl.2012.06.009

المؤلفون: Joan Pous, S. Rodriguez-Puente, R. Oliete, Alicia Guasch, Michael E. Johnson, L. Martinelli, Cele Abad-Zapatero

المصدر: Digital.CSIC. Repositorio Institucional del CSIC
instname

مصطلحات موضوعية: Carboxy-Lyases, Inorganic chemistry, Biophysics, Salt (chemistry), Crystallography, X-Ray, Biochemistry, law.invention, Crystal, Structural Biology, law, PEG ratio, Genetics, Relative humidity, Crystallization, chemistry.chemical_classification, Laboratory Communications, food and beverages, Humidity, Substrate (chemistry), Condensed Matter Physics, Solutions, Crystallography, chemistry, Bacillus anthracis, Protein crystallization

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::34d5708ab67bdefff6e891b4e0b27200
https://doi.org/10.1107/s174430911103377x

المؤلفون: Cele Abad-Zapatero, Daniel Blasi

المصدر: Molecular Informatics. 30:122-132

مصطلحات موضوعية: Ligand efficiency, Chemistry, Drug discovery, Stereochemistry, Organic Chemistry, Combined use, Computer Science Applications, Yardstick, Structural Biology, Simple (abstract algebra), Drug Discovery, Molecular Medicine, Polypharmacology, Unit size, Representation (mathematics), Biological system

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::38a24817e153b70603822337c57ced3d
https://doi.org/10.1002/minf.201000161

المؤلفون: Cele Abad-Zapatero, Cravo Daniel, Serge Christmann-Franck

المصدر: Molecular Informatics. 30:137-144

مصطلحات موضوعية: Structural Biology, Cheminformatics, Drug discovery, Computer science, Organic Chemistry, Drug Discovery, Molecular Medicine, Bioinformatics, Data science, Computer Science Applications

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::43b07a95118eb871d100b44ae083e261
https://doi.org/10.1002/minf.201000158

المؤلفون: Cele Abad-Zapatero, Yong Jia, David J. Burns, Timothy E. Cloutier, Zhili Xin, Douglas Marcotte, Hua Tang, Kenneth M. Comess, Teresa I. Ng, David W. Borhani, Michael L. Coen, Sanyi Wang, Harriet T. Smith, Eric R. Goedken, Danying Song, Jill E. Clampit, Bo Liu, Philip J. Hajduk, Xueheng Cheng, Maria A. Argiriadi, David Banach, Chaohong Sun, Duncan R. Groebe, Elizabeth H. Fry, Christopher Quinn, Gang Liu, David J. Calderwood, Deanna L. Haasch, Vincent S. Stoll, Rebecca J. Gum

المصدر: ACS Chemical Biology. 6:234-244

مصطلحات موضوعية: Models, Molecular, Molecular Sequence Data, Biology, Crystallography, X-Ray, p38 Mitogen-Activated Protein Kinases, Biochemistry, MAP2K7, Small Molecule Libraries, Structure-Activity Relationship, Adenosine Triphosphate, Drug Discovery, Humans, Mitogen-Activated Protein Kinase 8, ASK1, c-Raf, Protein kinase A, Protein Kinase Inhibitors, Binding Sites, Molecular Structure, Cyclin-dependent kinase 2, Stereoisomerism, General Medicine, Protein kinase R, High-Throughput Screening Assays, Cell biology, Cyclin-dependent kinase complex, biology.protein, Molecular Medicine, Cyclin-dependent kinase 9

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b24a8e4dd5ebafebd0f1d8db41a15f68
https://doi.org/10.1021/cb1002619

المؤلفون: Cele Abad-Zapatero, Ognjen Perišić, John Wass, John P. Overington, A. Patrícia Bento, Michael E. Johnson, Bissan Al-Lazikani

المصدر: Drug Discovery Today. 15:804-811

مصطلحات موضوعية: Protein Tyrosine Phosphatase, Non-Receptor Type 1, Pharmacology, Physics, Binding Sites, Ligand efficiency, Ligand, Stereochemistry, Drug discovery, Atlas (topology), Core Binding Factors, Molecular Conformation, Natural coordinate system, Ligands, Chemical space, Polar surface area, Molecular Weight, Structure-Activity Relationship, Drug Delivery Systems, HIV Protease, Drug Discovery, Polar, Molecular Targeted Therapy, Biological system, Software

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7b56e99cf5f50592ea93d81d4c346a09
https://doi.org/10.1016/j.drudis.2010.08.004

المؤلفون: Russell A. Judge, Cele Abad-Zapatero, Sumiko Takahashi, Elizabeth H. Fry, Kenton L. Longenecker, Mark L. Chiu

المصدر: Crystal Growth & Design. 9:3463-3469

مصطلحات موضوعية: Glucose-6-phosphate isomerase, Chemistry, General Chemistry, Condensed Matter Physics, law.invention, Crystal, chemistry.chemical_compound, Crystallography, Myoglobin, Chemical engineering, law, Ionic liquid, X-ray crystallography, General Materials Science, Crystallization, Protein crystallization, Macromolecule

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::c7abf1285c656dcb217333fb39dd42d5
https://doi.org/10.1021/cg900140b

المؤلفون: Cele Abad-Zapatero

المصدر: Crystallography Reviews. 13:247-250

مصطلحات موضوعية: Structural Biology, General Materials Science, General Chemistry, Condensed Matter Physics, Biochemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::70f106125c9927671ba78ddee55f188c
https://doi.org/10.1080/08893110701562381

المؤلفون: Cele Abad-Zapatero

المصدر: Acta Crystallographica Section D Biological Crystallography. 63:660-664

مصطلحات موضوعية: Crystallography, Protein structure, Structural biology, Protein Conformation, Structural Biology, Chemistry, Macromolecular crystallography, Proteins, A protein, Nanotechnology, General Medicine, Crystallization

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::99543a8a0810ad16119fb3768547bf48
https://doi.org/10.1107/s0907444907015053

المؤلفون: Cele Abad-Zapatero

المصدر: Expert Opinion on Drug Discovery. 2:469-488

مصطلحات موضوعية: Ligand efficiency, Drug discovery, Chemistry, Drug Discovery, Drug design, Computational biology, Hit to lead, Combinatorial chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b0395bb5e4888a71da15cfdb672bfbfa
https://doi.org/10.1517/17460441.2.4.469

المؤلفون: Deanna L. Haasch, Hing L. Sham, Rebecca J. Gum, James M. Trevillyan, Elizabeth H. Fry, Cele Abad-Zapatero, Gang Liu, Mei Liu, Jill E. Clampit, Sanyi Wang, Cristina M. Rondinone

المصدر: Bioorganic & Medicinal Chemistry Letters. 17:668-672

مصطلحات موضوعية: Models, Molecular, Magnetic Resonance Spectroscopy, Stereochemistry, Clinical Biochemistry, Molecular Conformation, Pharmaceutical Science, Crystallography, X-Ray, Biochemistry, Chemical synthesis, Structure-Activity Relationship, Drug Discovery, Structure–activity relationship, Enzyme Inhibitors, Protein kinase A, Molecular Biology, chemistry.chemical_classification, Aniline Compounds, biology, Kinase, Organic Chemistry, JNK Mitogen-Activated Protein Kinases, Aromatic amine, Pyrimidines, Enzyme, chemistry, Mitogen-activated protein kinase, biology.protein, Molecular Medicine, Indicators and Reagents, Signal transduction

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::113d54228f101f627d32e8d9184ef361
https://doi.org/10.1016/j.bmcl.2006.10.093

المؤلفون: Geoffrey F. Stamper, Cele Abad-Zapatero, Vincent S. Stoll

المصدر: Fragment-based Approaches in Drug Discovery

مصطلحات موضوعية: Drug, Chemistry, Drug discovery, Stereochemistry, media_common.quotation_subject, X-ray crystallography, Structure based, Nuclear magnetic resonance spectroscopy, Solution phase, Combinatorial chemistry, media_common

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::86f5d5f613dea88c232b84ed2d4c95cb
https://doi.org/10.1002/3527608761.ch12

المؤلفون: Hing L. Sham, Zhili Xin, Christi Kosogof, Terry Pederson, Hongyu Zhao, Cele Abad-Zapatero, Bo Liu, Michael D. Serby, Bruce G. Szczepankiewicz, Gang Liu, Cristina M. Rondinone, Nelson Lissa T, Deanna L. Haasch, Jill E. Clampit, Sanyi Wang, Rebecca J. Gum, James M. Trevillyan, Elizabeth H. Fry, Eric F. Johnson, Mei Liu

المصدر: Journal of Medicinal Chemistry. 49:4455-4458

مصطلحات موضوعية: Models, Molecular, Cell signaling, Pyridines, medicine.drug_class, Administration, Oral, Biological Availability, Carboxamide, In Vitro Techniques, Pharmacology, Crystallography, X-Ray, Mice, Structure-Activity Relationship, Microsomes, Drug Discovery, medicine, Animals, Humans, Protein kinase A, chemistry.chemical_classification, biology, Kinase, JNK Mitogen-Activated Protein Kinases, Amides, Rats, Enzyme, chemistry, Enzyme inhibitor, Mitogen-activated protein kinase, biology.protein, Thermodynamics, Molecular Medicine, Signal transduction

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fc463ce3c72249463613b7043f83c6a3
https://doi.org/10.1021/jm060465l