المؤلفون: Wayne Vaccaro, Jonathan Lippy, Mark A. Hermsmeier, Shana L. Posy, Gordon Todderud, Deborah A. Loughney, Karl-Heinz Ott, George L. Trainor, Stephen R. Johnson

المصدر: Journal of Medicinal Chemistry. 54:54-66

مصطلحات موضوعية: Quantitative structure–activity relationship, Sequence Homology, Amino Acid, Kinase, Chemistry, Cyclin-Dependent Kinase 2, Phosphotransferases, Quantitative Structure-Activity Relationship, Small Molecule Libraries, Plasma protein binding, High-Throughput Screening Assays, ErbB Receptors, Broad spectrum, Sequence homology, fms-Like Tyrosine Kinase 3, Biochemistry, Drug Discovery, Molecular Medicine, Selectivity, Protein Kinase Inhibitors, Protein Binding

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c75ac78444e3545c5edfe822c0dab090
https://doi.org/10.1021/jm101195a

المؤلفون: William H. Bullock, Kurt J. Edinger, David S. Nirschl, Thomas Swann, Jeffrey Kiplinger, Mark A. Hermsmeier, Steven L. Hoffman, Harold N. Weller, Jiang Zhao, Paul Lefebvre, Katalin Ebinger

المصدر: Journal of Combinatorial Chemistry. 12:877-882

مصطلحات موضوعية: animal structures, Preparative hplc, Chromatography, Chemistry, Chromatography, Supercritical Fluid, General Chemistry, High-performance liquid chromatography, Small molecule, Small Molecule Libraries, Orthogonality, Drug Design, Supercritical fluid chromatography, Selectivity, Chromatography, High Pressure Liquid

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e8f75f5cf2519ab54ecd962aabb8aa79
https://doi.org/10.1021/cc100118y

المؤلفون: Mark A. Hermsmeier, Dora M. Schnur, Andrew J. Tebben

المصدر: Journal of Medicinal Chemistry. 49:2000-2009

مصطلحات موضوعية: Library design, Databases, Factual, Molecular Structure, Frequency of occurrence, Chemistry, Stereochemistry, Serine Endopeptidases, Receptors, Cytoplasmic and Nuclear, Computational biology, Ligands, Ion Channels, Receptors, G-Protein-Coupled, Nuclear receptor, Drug Discovery, Combinatorial Chemistry Techniques, Molecular Medicine, Pharmacophore, Ion Channel Gating, Protein Kinases, G protein-coupled receptor

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5929ca255cd9af85911de8c7506f4471
https://doi.org/10.1021/jm0502900

المؤلفون: Mark A. Hermsmeier, Sung Jin Cho, and C. Frank Shen

المصدر: Journal of Chemical Information and Computer Sciences. 40:668-680

مصطلحات موضوعية: business.industry, Binary number, Inference, Torsion (mechanics), Recursive partitioning, General Chemistry, Machine learning, computer.software_genre, Multiple-criteria decision analysis, Computer Science Applications, Data set, Computational Theory and Mathematics, Homogeneous, Artificial intelligence, business, computer, Algorithm, Information Systems, Mathematics, Statistical hypothesis testing

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2d304f5a9cdd0438fc740bf253229283
https://doi.org/10.1021/ci9908190

المؤلفون: Mark A. Hermsmeier, Jill A. Greytok, Ping Chen, Aaila Ashfaq, Gregory D. Vite, Joseph A. Tino, M. Skoog, Gregory S. Bisacchi, Steven H. Spergel, Robert Zahler, Richard J. Colonno, Pin-Fang Lin, Zoeb Merchant, Peter T. W. Cheng, M. Alam, Karen A. Lis, Toomas Mitt, Joel C. Barrish, Saleem Ahmad

المصدر: Bioorganic & Medicinal Chemistry Letters. 5:1729-1734

مصطلحات موضوعية: Carbamate, Protease, Molecular model, Chemistry, Stereochemistry, medicine.medical_treatment, Organic Chemistry, Clinical Biochemistry, Absolute configuration, Pharmaceutical Science, Biochemistry, chemistry.chemical_compound, Amide, Drug Discovery, medicine, Molecular Medicine, HIV Protease Inhibitor, Moiety, Molecular Biology, IC50

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::3e3516fe76c241d06c2ee962278e16dc
https://doi.org/10.1016/0960-894x(95)00293-3

المؤلفون: Jill A. Greytok, Robert Zahler, Z. Merchant, Saleem Ahmad, Peter T. W. Cheng, Mark A. Hermsmeier, M. Skoog, Gregory S. Bisacchi, M. Alam, Aaila Ashfaq, Steven H. Spergel, P.-F. Lin, Joel C. Barrish

المصدر: Bioorganic & Medicinal Chemistry Letters. 5:459-464

مصطلحات موضوعية: chemistry.chemical_classification, Protease, 2-hydroxyethyl carbamate, medicine.medical_treatment, Organic Chemistry, Clinical Biochemistry, Pharmaceutical Science, Biochemistry, Virus, Enzyme, chemistry, Drug Discovery, medicine, Molecular Medicine, HIV Protease Inhibitor, Potency, Molecular Biology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::12e0ce3ea67a0707c08a46a455a04e6b
https://doi.org/10.1016/0960-894x(95)00056-y

المؤلفون: Zhengxiang Gu, John T. Hunt, Natesan Murugesan, Eddie C.-K. Liu, Mark A. Hermsmeier, Maria L. Webb, Ving G. Lee

المصدر: Bioorganic & Medicinal Chemistry Letters. 5:253-258

مصطلحات موضوعية: Endothelin receptor type A, Chemistry, Stereochemistry, Organic Chemistry, Clinical Biochemistry, Antagonist, Pharmaceutical Science, respiratory system, Biochemistry, Drug Discovery, cardiovascular system, Molecular Medicine, Cyclic pentapeptide, Endothelin receptor, Molecular Biology, Etb receptor, circulatory and respiratory physiology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::990e6da45556e14f0ad3e53a1552b33d
https://doi.org/10.1016/0960-894x(95)00019-p

المؤلفون: Greg Silber, David S. Nirschl, Donna L. Young, Janette V. H. Logan, Mark A. Hermsmeier, Rick Hammar

المصدر: Journal of combinatorial chemistry. 11(2)

مصطلحات موضوعية: Workflow, Database, Databases, Factual, Chemistry, Vendor, Reagent, Commerce, Indicators and Reagents, General Chemistry, computer.software_genre, computer, Selection (genetic algorithm)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::17c1d3615247b8cf864a157a68070e64
https://pubmed.ncbi.nlm.nih.gov/19053504

المؤلفون: Andrew J. Tebben, Joyce Dickey, Ramesh Padmanabha, Kim Esposito, Stephen R. Johnson, Wayne Vaccaro, Mark A. Hermsmeier, Michael R. Lawrence, Deborah A. Loughney, Angela Cacace, Victoria Wong, Michael A. Poss, Kristen Pike

المصدر: Journal of biomolecular screening. 12(2)

مصطلحات موضوعية: Process (engineering), Computer science, Wheat Germ Agglutinins, Monte Carlo method, Drug Evaluation, Preclinical, Sample (statistics), Biocompatible Materials, Bioinformatics, computer.software_genre, Disease cluster, Biochemistry, Sampling Studies, Analytical Chemistry, Receptors, G-Protein-Coupled, Inhibitory Concentration 50, Adenosine Triphosphate, Coumarins, Software Design, Fluorescence Resonance Energy Transfer, Cluster Analysis, Biotinylation, Computer Simulation, Fluorescent Dyes, Sampling (statistics), Receptor Protein-Tyrosine Kinases, Workload, Identification (information), Spectrophotometry, Molecular Medicine, Software design, Polystyrenes, Scintillation Counting, Fluorescein, Data mining, computer, Monte Carlo Method, Protein Kinases, Biotechnology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d88845663808f3e69b0c7ce4c938f770
https://pubmed.ncbi.nlm.nih.gov/17272827

المؤلفون: and Andrew C. Good, Mark A. Hermsmeier

المصدر: Journal of chemical information and modeling. 47(1)

مصطلحات موضوعية: Models, Molecular, Databases, Factual, Computer science, General Chemical Engineering, Quantitative Structure-Activity Relationship, Context (language use), Library and Information Sciences, Space (commercial competition), Machine learning, computer.software_genre, Artificial Intelligence, Methods, Selection (genetic algorithm), business.industry, General Chemistry, Druglikeness, Classification, Standard technique, Computer Science Applications, Data set, Pharmaceutical Preparations, Test set, Artificial intelligence, Data mining, business, Focus (optics), computer

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4528b782968786d2a1081551d3fcae88
https://pubmed.ncbi.nlm.nih.gov/17238255

المؤلفون: Cooper Christopher B, Michael A. Poss, Zheming Ruan, Muthoni G. Kamau, Dharmpal S. Dodd, Mark A. Hermsmeier, Katy Van Kirk, Rogelio L. Martinez, and Sarah C. Traeger

المصدر: Journal of combinatorial chemistry. 7(4)

مصطلحات موضوعية: Combinatorial Chemistry Techniques, Molecular Structure, Chemistry, Aryl, General Chemistry, Combinatorial chemistry, chemistry.chemical_compound, Solid-phase synthesis, Reagent, Organic chemistry, Molecule, Pyrazoles, Amines

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::853d8920d83616c213470179e5dd050f
https://pubmed.ncbi.nlm.nih.gov/16004502

المؤلفون: Sally A. Hindle, Mark A. Hermsmeier, Andrew C. Good

المصدر: Journal of computer-aided molecular design. 18(7-9)

مصطلحات موضوعية: Flexibility (engineering), Virtual screening, Similarity (geometry), Computer science, Fingerprint (computing), Quantitative Structure-Activity Relationship, Context (language use), computer.software_genre, Computer Science Applications, Variety (cybernetics), Young age, Drug Discovery, Computer-Aided Design, Data mining, Physical and Theoretical Chemistry, computer

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::78d6acbd64418979f6311bb93a9edd79
https://pubmed.ncbi.nlm.nih.gov/15729852

المؤلفون: Rongan Zhang, Eddie C.-K. Liu, Mark A. Hermsmeier, Maria L. Webb, Ping Chen, Zhengxiang Gu, Richard A. Morrison, Natesan Murugesan, T.L. Waldron, Leslie Leith, Steven H. Spergel, Suzanne Moreland, Eileen Bird, Marian Young, Barry Koplowitz, Anthony M. Marino, Nick C. Trippodo, Saeho Chong, W. Griffith Humphreys, Arvind Mathur, Joel C. Barrish

المصدر: Journal of medicinal chemistry. 46(1)

مصطلحات موضوعية: Endothelin Receptor Antagonists, Male, Stereochemistry, medicine.drug_class, Administration, Oral, Carboxamide, Blood Pressure, CHO Cells, In Vitro Techniques, Rats, Sprague-Dawley, Structure-Activity Relationship, Cricetinae, Drug Discovery, medicine, Potency, Structure–activity relationship, Animals, Humans, Receptor, Oxazoles, Sulfonyl, chemistry.chemical_classification, Sulfonamides, Antagonist, Isoxazoles, Receptor antagonist, Receptor, Endothelin A, Receptor, Endothelin B, Rats, Macaca fascicularis, Carotid Arteries, chemistry, Molecular Medicine, Rabbits, Caco-2 Cells, Endothelin receptor, Muscle Contraction

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9a73249958e30faeff3158be05e9bfac
https://pubmed.ncbi.nlm.nih.gov/12502366

المؤلفون: Mark A. Hermsmeier, Sung Jin Cho

المصدر: Journal of chemical information and computer sciences. 42(4)

مصطلحات موضوعية: Quantitative structure–activity relationship, Similarity (geometry), Truncation selection, Databases, Factual, business.industry, Quantitative Structure-Activity Relationship, Pattern recognition, Feature selection, General Chemistry, Computer Science Applications, Data set, Computational Theory and Mathematics, Models, Chemical, Test set, Genetic algorithm, Computer Simulation, Artificial intelligence, business, Selection (genetic algorithm), Algorithms, Information Systems, Mathematics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5b3fd9f2fe430adf585a0deae8a999b0
https://pubmed.ncbi.nlm.nih.gov/12132894

المؤلفون: Nanxiang Ge, Mark A. Hermsmeier, C. Frank Shen, Michael A. Poss, Sung Jin Cho

المصدر: Combinatorial chemistryhigh throughput screening. 5(2)

مصطلحات موضوعية: Library design, Quantitative structure–activity relationship, Chemistry, Organic Chemistry, Drug Evaluation, Preclinical, Quantitative Structure-Activity Relationship, Biological activity, General Medicine, Combinatorial chemistry, Percent Inhibition, Computer Science Applications, Models, Chemical, Additive function, Non additivity, Drug Discovery, Combinatorial Chemistry Techniques, Biochemical engineering, Pharmacophore, Additive model

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2d65898ffb24a1798ad1c7c06a1d3da4
https://pubmed.ncbi.nlm.nih.gov/11966423

المؤلفون: Mark C. Kowala, Michael A. Poss, Mark A. Hermsmeier, Maria T. Valentine, Thomas J. Caulfield, Richard D. Cramer

المصدر: Journal of medicinal chemistry. 42(19)

مصطلحات موضوعية: Bromides, Molecular Structure, Chemistry, Stereochemistry, Drug discovery, Molecular Mimicry, Biological activity, Stereoisomerism, Computational biology, Angiotensin II, Similitude, Identification (information), Structure-Activity Relationship, Similarity (network science), Models, Chemical, Prospective trial, Peptide Library, Biological property, Drug Design, Drug Discovery, Molecular Medicine, Benzyl Alcohols, Retrospective Studies

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8df78b1eb95910d0252f9701584dab54
https://pubmed.ncbi.nlm.nih.gov/10508440

المؤلفون: Peter T. W. Cheng, Jill A. Greytok, Ping Chen, Chongqing Sun, William G. Humphreys, M. Alam, K. A. Lis, G. A. Jacobs, S. H. Spergel, A. J. Evans, M. A. Marella, P.-F. Lin, Amy K. Sheaffer, Mark A. Hermsmeier, Tamara Dejneka, G. S. Bisacchi, Gregory D. Vite, Robert Zahler, Richard J. Colonno, B. D. Beyer, Denis E. Ryono, Joel C. Barrish, O. Kocy, Joseph A. Tino

المصدر: Journal of medicinal chemistry. 39(10)

مصطلحات موضوعية: chemistry.chemical_classification, Protease, biology, Stereochemistry, Cell Survival, medicine.medical_treatment, HIV Protease Inhibitors, Chemical synthesis, Cell Line, Structure-Activity Relationship, Enzyme, chemistry, Enzyme inhibitor, Drug Discovery, Lipophilicity, medicine, biology.protein, Molecular Medicine, Structure–activity relationship, HIV Protease Inhibitor, Humans, Amines, Cytotoxicity, Cell Division

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1cc030633e8057142d962c53b921c2e8
https://pubmed.ncbi.nlm.nih.gov/8642558

المؤلفون: Wan F. Lau, Mark A. Hermsmeier

المصدر: Trends in QSAR and Molecular Modelling 92 ISBN: 9789072199133
Trends in QSAR and Molecular Modelling 92

مصطلحات موضوعية: Combinatorics, Docking (molecular), Chemistry, Combinatorial search, Topology, Distance geometry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::387634af60dec4e4111838910f61adaa
https://doi.org/10.1007/978-94-011-1472-1_101

المؤلفون: Shana L. Posy, Mark A. Hermsmeier, Wayne Vaccaro, Karl-Heinz Ott, Gordon Todderud, Jonathan S. Lippy, George L. Trainor, Deborah A. Loughney, Stephen R. Johnson

المصدر: Journal of Medicinal Chemistry; Jan2011, Vol. 54 Issue 1, p54-66, 13p

المؤلفون: David S. Nirschl¹, Mark A. Hermsmeier¹, Greg Silber¹, Janette V. Logan¹, Rick Hammar¹, Donna L. Young¹

المصدر: Journal of Combinatorial Chemistry. Mar2009, Vol. 11 Issue 2, p206-209. 4p.