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ChemMedChem, ISSN 1860-7179, 06/2016, Volume 11, Issue 11, pp. 1109 - 1109
The front cover picture shows how a computer can predict gastrointestinal absorption and brain access for small molecules. The pills illustrate the main... 
chemoinformatics | drug absorption | blood–brain barrier | physicochemical properties | medicinal chemistry | Pharmaceutical industry
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 07/2011, Volume 32, Issue 10, pp. 2149 - 2159
Journal Article
Journal Article
Scientific Reports, ISSN 2045-2322, 03/2017, Volume 7, Issue 1, pp. 42717 - 42717
To be effective as a drug, a potent molecule must reach its target in the body in sufficient concentration, and stay there in a bioactive form long enough for... 
SCREENING LIBRARIES | DESIGN | POLAR SURFACE-AREA | TRANSPORTERS | MULTIDISCIPLINARY SCIENCES | CYP ENZYMES | PARTITION-COEFFICIENT | DISCOVERY | COMPOUND DATABASES | PREDICTION | SOLUBILITY | Index Medicus
Journal Article
Nucleic Acids Research, ISSN 0305-1048, 7/2011, Volume 39, Issue suppl_2, pp. W270 - W277
Most life science processes involve, at the atomic scale, recognition between two molecules. The prediction of such interactions at the molecular level, by... 
BETA-SECRETASE | GEOMETRIES | DESIGN | BIOCHEMISTRY & MOLECULAR BIOLOGY | FORCE FIELD | MMFF94 | VALIDATION | INHIBITORS | SIMULATION | SOLVATION | DISCOVERY | Protein engineering | Molecular modelling | Databases | software | Internet | Drug development | Soaps | Computer programs | Drug Design | Protein Engineering | Models, Molecular | Ligands | Protein Conformation | Software | Index Medicus
Journal Article
ChemMedChem, ISSN 1860-7179, 06/2016, Volume 11, Issue 11, pp. 1109 - 1109
The front cover picture shows how a computer can predict gastrointestinal absorption and brain access for small molecules. The pills illustrate the main... 
Journal Article
Nucleic acids research, ISSN 0305-1048, 05/2019, Volume 47, Issue W1, pp. W357 - W364
SwissTargetPrediction is a web tool, on-line since 2014, that aims to predict the most probable protein targets of small molecules. Predictions are based on... 
Journal Article
The EMBO Journal, ISSN 0261-4189, 12/2009, Volume 28, Issue 24, pp. 3893 - 3902
In shade‐intolerant plants such as Arabidopsis , a reduction in the red/far‐red (R/FR) ratio, indicative of competition from other plants, triggers a suite of... 
phytochrome | shade avoidance | HFR1 | PIF/bHLH factor | Shade avoidance | Phytochrome | CIRCADIAN CLOCK | SIGNAL-TRANSDUCTION | ARABIDOPSIS-THALIANA | AUXIN | LIGHT RESPONSES | PROTEIN | PHYTOCHROME-A | BIOCHEMISTRY & MOLECULAR BIOLOGY | GROWTH | TRANSCRIPTION FACTOR | FLOWERING TIME | CELL BIOLOGY | Plant biology | Proteins | Arabidopsis Proteins | PIF4 protein, Arabidopsis | Gene Expression Regulation, Plant | Transcription, Genetic | Flowers & plants | Plant Physiological Phenomena | HFR1 protein, Arabidopsis | Dimerization | Basic Helix-Loop-Helix Transcription Factors | DNA-Binding Proteins | Protein Structure, Tertiary | Promoter Regions, Genetic | Arabidopsis | PIL1 protein, Arabidopsis | Gene expression | Nuclear Proteins | Protein Binding | Transcription Factors | Mutation | PIF5 protein, Arabidopsis | Photosynthesis | Molecular biology | Binding sites | Competition | Transcription | Data processing | phytochromes | Light effects | Promoters | Shade | Hypocotyls | Feedback | Avoidance behavior | Photoreceptors | Elongation | Basic Helix-Loop-Helix Transcription Factors - genetics | Nuclear Proteins - metabolism | Arabidopsis - genetics | Arabidopsis Proteins - metabolism | DNA-Binding Proteins - metabolism | Phytochrome - chemistry | Basic Helix-Loop-Helix Transcription Factors - metabolism | Basic Helix-Loop-Helix Transcription Factors - chemistry | Index Medicus
Journal Article
ChemMedChem, ISSN 1860-7179, 06/2016, Volume 11, Issue 11, pp. 1117 - 1121
Apart from efficacy and toxicity, many drug development failures are imputable to poor pharmacokinetics and bioavailability. Gastrointestinal absorption and... 
Brain | Translation | Molecular modelling | Intestine | Toxicity | Polarity | Bioavailability | Drug discovery | Drug development | Pharmacokinetics | Statistics
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 09/2004, Volume 121, Issue 9, pp. 4377 - 4388
Journal Article
CANCER RESEARCH, ISSN 0008-5472, 04/2019, Volume 79, Issue 7, pp. 1299 - 1301
Deep sequencing of T-cell receptors enables the comprehensive profiling of lymphocyte populations and the characterization of the repertoire of T-cell... 
ONCOLOGY | Index Medicus
Journal Article
Nature Genetics, ISSN 1061-4036, 2012, Volume 44, Issue 2, pp. 133 - 139
We performed exome sequencing to detect somatic mutations in protein-coding regions in seven melanoma cell lines and donor-matched germline cells. All melanoma... 
HUMAN BREAST | METASTASIS | BYPASS | GENE | GENETICS & HEREDITY | GERMLINE MUTATIONS | BRAF | MECHANISMS | MALIGNANT-MELANOMA | MAPK PATHWAY | GENOME | Phosphorylation | U.V. radiation | MEK inhibitors | Melanoma | Extracellular signal-regulated kinase | Mutation | DNA repair | Metastases | Tumors | Humans | Receptors, LDL | Molecular Sequence Data | Kinases | MAP Kinase Kinase 2 | MAP Kinase Kinase 1 | Proteins | Exome | Ultraviolet Rays | Base Sequence | Proto-Oncogene Proteins B-raf | MAP2K1 protein, human | Medical research | MAPK1 protein, human | FAT4 protein, human | BRAF protein, human | Desmocollins | MAP2K2 protein, human | LRP1B protein, human | DNA Repair | DSC1 protein, human | Skin Neoplasms | Cell Line, Tumor | Cadherins | Mitogen-Activated Protein Kinase 1 | Tumor Suppressor Proteins | Cohort Studies | MAP Kinase Kinase 1 - antagonists & inhibitors | Receptors, LDL - genetics | DNA Repair - genetics | Ultraviolet Rays - adverse effects | MAP Kinase Kinase 1 - genetics | Exome - genetics | MAP Kinase Kinase 2 - antagonists & inhibitors | Melanoma - genetics | Proto-Oncogene Proteins B-raf - genetics | Mitogen-Activated Protein Kinase 1 - genetics | Skin Neoplasms - genetics | Tumor Suppressor Proteins - genetics | Cadherins - genetics | MAP Kinase Kinase 2 - genetics | Gene mutations | Exome sequencing | Reports | Genetic aspects | Research | Mitogen-activated protein kinases | Index Medicus
Journal Article