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المؤلفون: John D. Chodera, Dorothy Levorse, Mehtap Işık, David L. Mobley, Timothy Rhodes
المصدر: J Comput Aided Mol Des
مصطلحات موضوعية: Octanols, Research groups, 010304 chemical physics, Solvation, Water, Thermodynamics, 01 natural sciences, Measure (mathematics), Article, 0104 chemical sciences, Computer Science Applications, Partition coefficient, 010404 medicinal & biomolecular chemistry, Models, Chemical, Solubility, 0103 physical sciences, Drug Discovery, Lipophilicity, Solvents, Octanol water partition, Computer Simulation, Free energies, Physical and Theoretical Chemistry, Binding affinities
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المؤلفون: Xin Gu, Brande Thomas-Fowlkes, Dorothy Levorse, Harry R. Chobanian, Timothy Cutarelli, Alexander Pasternak, Adam B. Weinglass, Ian W. Davies, Martin Koehler, Michael Margulis, Fa-Xiang Ding, Joel B. Yudkovitz, Jinlong Jiang, Haifeng Tang, Lee-Yuh Pai, Barbara Pio, Shuzhi Dong, Mengwei Hu, Kathleen A. Sullivan, Jack Gibson, Thomas Bateman, Koppara Samuel, Xiaoyan Zhou, Caryn Hampton, Reynalda deJesus, Kevin Houle, Emma R. Parmee
المصدر: Journal of medicinal chemistry. 64(11)
مصطلحات موضوعية: Male, medicine.medical_treatment, Diuresis, Action Potentials, Blood Pressure, Pharmacology, 01 natural sciences, Piperazines, Natriuresis, Excretion, 03 medical and health sciences, Dogs, Rats, Inbred SHR, Drug Discovery, medicine, Potassium Channel Blockers, Animals, Humans, Dosing, Potassium Channels, Inwardly Rectifying, Diuretics, 030304 developmental biology, Benzofurans, 0303 health sciences, Chemistry, Furosemide, Haplorhini, medicine.disease, 0104 chemical sciences, Rats, 010404 medicinal & biomolecular chemistry, Heart failure, ROMK, Potassium, Molecular Medicine, Natriuretic Agents, Diuretic, medicine.drug, Half-Life
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المؤلفون: Timothy Rhodes, John D. Chodera, Mikhail Reibarkh, Heather Wang, Mehtap Işık, Dorothy Levorse, David L. Mobley, Alexey A. Makarov, Gary E. Martin, Ikenna E. Ndukwe, Ariën S. Rustenburg, Xiao Wang
المصدر: Journal of Computer-Aided Molecular Design. 32:1117-1138
مصطلحات موضوعية: education.field_of_study, 010304 chemical physics, Chemistry, Population, Protonation, 01 natural sciences, Small molecule, Tautomer, Acid dissociation constant, 0104 chemical sciences, Computer Science Applications, 010404 medicinal & biomolecular chemistry, Computational chemistry, 0103 physical sciences, Drug Discovery, Molecule, Titration, Physical and Theoretical Chemistry, education, Macromolecule
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المؤلفون: John D. Chodera, Mehtap Işık, David L. Mobley, Dorothy Levorse, Timothy Rhodes
المصدر: Journal of computer-aided molecular design, vol 34, iss 4
مصطلحات موضوعية: Octanols, Logarithm, Octanol-water partition coefficient, Medicinal & Biomolecular Chemistry, Potentiometric titration, Thermodynamics, Chemical, Bioengineering, SAMPL, 01 natural sciences, Measure (mathematics), 4-Aminoquinazoline, Medicinal and Biomolecular Chemistry, Models, Theoretical and Computational Chemistry, 0103 physical sciences, Drug Discovery, Computer Simulation, Potentiometric log P measurement, Octanol–water partition coefficient, log P, Computational model, 010304 chemical physics, Kinase inhibitor fragments, Solvation, Water, Blind prediction challenge, 0104 chemical sciences, Partition coefficient, 010404 medicinal & biomolecular chemistry, Solubility, Lipophilicity, Octanol water partition, Solvents
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::804987fb1e27893ab140bf299605fa62
https://escholarship.org/uc/item/9pt2d7ck -
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المؤلفون: Kendra Galipeau, Dorothy Levorse, Paul L. Walsh, Filippos Kesisoglou, Joyce Stellabott, Wei Xu, Rebecca Nofsinger
المصدر: AAPS PharmSciTech. 18:1408-1416
مصطلحات موضوعية: Drug Compounding, Biological Availability, Pharmaceutical Science, 02 engineering and technology, Absorption (skin), Aquatic Science, Pharmacology, Risk Assessment, 030226 pharmacology & pharmacy, Beagle, Intestinal fluid, Dosage form, 03 medical and health sciences, Dogs, 0302 clinical medicine, Drug Discovery, Animals, Humans, Intestinal Mucosa, Solubility, Dissolution, Ecology, Evolution, Behavior and Systematics, Chromatography, Ecology, Chemistry, Fasting, General Medicine, 021001 nanoscience & nanotechnology, Bioavailability, Biopharmaceutical, 0210 nano-technology, Agronomy and Crop Science
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المؤلفون: Mehtap, Işık, Dorothy, Levorse, Ariën S, Rustenburg, Ikenna E, Ndukwe, Heather, Wang, Xiao, Wang, Mikhail, Reibarkh, Gary E, Martin, Alexey A, Makarov, David L, Mobley, Timothy, Rhodes, John D, Chodera
المصدر: Journal of computer-aided molecular design. 32(10)
مصطلحات موضوعية: Models, Molecular, Small Molecule Libraries, Heterocyclic Compounds, 1-Ring, Models, Chemical, Ultraviolet Rays, Solvents, Thermodynamics, Water, Hydrogen-Ion Concentration, Heterocyclic Compounds, 2-Ring, Protein Kinase Inhibitors, Article
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المؤلفون: Dorothy Levorse, John D. Chodera, Ariën S. Rustenburg, Mikhail Reibarkh, Mehtap Işık, Timothy Rhodes, David L. Mobley, Heather Wang, Xiao Wang, Alexey A. Makarov, Gary E. Martin, Ikenna E. Ndukwe
مصطلحات موضوعية: education.field_of_study, Chemistry, Population, Protonation, 010402 general chemistry, 01 natural sciences, Tautomer, Small molecule, Acid dissociation constant, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, Computational chemistry, Molecule, Titration, education, Macromolecule
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a141f529cc84e5575c0c62daf37c8a35
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المؤلفون: Beata Zamlynny, Stuart A. Green, Karen H. Dingley, Liping Wang, Ann E. Weber, Katherine L. Villa, Amanda L. Hurley, Dong-Ming Shen, Gregori J. Morriello, Scott D. Edmondson, Sookhee Ha, Anthony Sanfiz, Dorothy Levorse, Nam Fung Kar, Beatrice Sacre-Salem, Hiroshi Nagabukuro, Nina Jochnowitz, Aileen Fitzmaurice, Gino Salituro, Tara L. Frenkl, Jerry Di Salvo, Richard G. Ball, Loise Gichuru, James D. Ormes, Cheng Zhu, Christopher Moyes, Stephen D. Goble, Randy R. Miller, Mary Struthers, Bart Harper, Shruty Mistry, Andra S. Stevenson, Richard A. Berger
المصدر: Journal of medicinal chemistry. 59(2)
مصطلحات موضوعية: 0301 basic medicine, Agonist, Models, Molecular, Pyrrolidines, medicine.drug_class, Urinary Bladder, Urination, Adrenergic beta-3 Receptor Agonists, CHO Cells, Pyrimidinones, Pharmacology, Lipidoses, Rats, Sprague-Dawley, 03 medical and health sciences, Structure-Activity Relationship, Cricetulus, X-Ray Diffraction, Cricetinae, Drug Discovery, Receptors, Adrenergic, beta, medicine, Structure–activity relationship, Animals, Humans, Receptor, Phospholipidosis, Serotonin Plasma Membrane Transport Proteins, Drug discovery, Chemistry, Urinary Bladder, Overactive, medicine.disease, Rats, 030104 developmental biology, Overactive bladder, Toxicity, Microsomes, Liver, Molecular Medicine, Female
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المؤلفون: Dorothy Levorse, Jingtao Zhang, Louis S. Crocker, Haihong Fan
المصدر: Langmuir. 27:1907-1914
مصطلحات موضوعية: Small interfering RNA, Chemical Phenomena, Potentiometric titration, Micelle, Structure-Activity Relationship, Surface-Active Agents, Naphthalenesulfonates, Pulmonary surfactant, Electrochemistry, General Materials Science, Cationic liposome, RNA, Small Interfering, Micelles, Spectroscopy, Fluorescent Dyes, Liposome, Chromatography, Chemistry, Cell Membrane, Cationic polymerization, Biological membrane, Surfaces and Interfaces, Hydrogen-Ion Concentration, Lipid Metabolism, Condensed Matter Physics, Lipids, Liposomes, Potentiometry, Biophysics, lipids (amino acids, peptides, and proteins)