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Drug Discovery Today, ISSN 1359-6446, 11/2014, Volume 19, Issue 11, pp. 1812 - 1821
Journal Article
Journal of medicinal chemistry, ISSN 0022-2623, 04/2019, Volume 62, Issue 7, pp. 3381 - 3394
A “fragment hit”, a molecule of low molecular weight that has been validated to bind to a target protein, can be an effective chemical starting point for a... 
EXPERIENCES | DESIGN | CHEMISTRY, MEDICINAL | THERMODYNAMICS | PERFORMANCE | DRUG DISCOVERY | PDE10A INHIBITORS | CHEMISTRY | CRYSTAL-STRUCTURES | WATER-MOLECULES | OPTIMIZATION | Index Medicus
Journal Article
Bioorganic & Medicinal Chemistry, ISSN 0968-0896, 06/2015, Volume 23, Issue 11, pp. 2656 - 2665
Journal Article
ACS Medicinal Chemistry Letters, ISSN 1948-5875, 02/2017, Volume 8, Issue 2, pp. 139 - 142
Design strategies centered on intramolecular hydrogen bonds are sometime used in drug discovery, but their general applicability has not been addressed beyond... 
conformation | matched molecular pair | molecular design | Intramolecular hydrogen bond | DESIGN | CHEMISTRY, MEDICINAL | MEMBRANE-PERMEABILITY | IDENTIFICATION | DISCOVERY | POTENT | INHIBITORS | LIGAND | DERIVATIVES
Journal Article
Drug Discovery Today, ISSN 1359-6446, 11/2015, Volume 20, Issue 11, pp. 1310 - 1316
•High-quality compound collections are a main determinant of drug discovery success.•Generation of relevant collections is a significant challenge for any... 
BIOACTIVITY | RESEARCH-AND-DEVELOPMENT | COMBINATORIAL LIBRARIES | PRODUCTIVITY | PHARMACOLOGY & PHARMACY | DIVERSITY | MEDICINES | MOLECULES | Chemistry, Pharmaceutical - methods | Europe | Humans | Drug Design | Cooperative Behavior | Drug Discovery - methods | High-Throughput Screening Assays - methods | Drug discovery
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 01/2006, Volume 46, Issue 1, pp. 401 - 415
Four of the most well-known, commercially available docking programs, FlexX, GOLD, GLIDE, and ICM, have been examined for their ligand-docking and... 
CHEMISTRY, MEDICINAL | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | PROTEIN | PEPTIDES | LIGANDS | PROGRAMS | COMPUTER SCIENCE, INFORMATION SYSTEMS | CLASSIFICATION | SCORING FUNCTIONS | CHEMISTRY, MULTIDISCIPLINARY | CONFORMATIONAL SEARCHES | GENETIC ALGORITHM
Journal Article
Journal Article
Journal of Thrombosis and Haemostasis, ISSN 1538-7933, 09/2009, Volume 7, Issue 9, pp. 1556 - 1565
Background: P2Y12 plays an important role in regulating platelet aggregation and function. This receptor is the primary target of thienopyridine antiplatelet... 
AZD6140 | P2Y12 | AZ11931285 | ticagrelor | ADP | 2MeS‐ADP | platelet aggregation | 2MeS-ADP | Platelet aggregation | Ticagrelor
Journal Article
Drug Discovery Today, ISSN 1359-6446, 2011, Volume 16, Issue 15, pp. 722 - 732
A major remark made by observers relates to the focus of the pharmaceutical industry on ‘me-too’ drugs rather than ‘first-in-class’ drugs, the latter are... 
TOREMIFENE | CLARITHROMYCIN | PHARMACOKINETICS | RESEARCH-AND-DEVELOPMENT | TAMOXIFEN | PRODUCTIVITY | PHARMACOLOGY & PHARMACY | AZITHROMYCIN | CHEMICAL SIMILARITY | TIMOLOL | TINIDAZOLE | Animals | Drug Industry - methods | Humans | Drug Design | Pharmaceutical Preparations - chemistry | Drug Discovery - methods | Structure-Activity Relationship | Drugs | Analysis
Journal Article