X
Search Filters
Format Format
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
chemistry (29) 29
organic chemistry (25) 25
heterocyclic compounds (24) 24
metallurgy (24) 24
human necessities (21) 21
hygiene (21) 21
medical or veterinary science (21) 21
preparations for medical, dental, or toilet purposes (20) 20
specific therapeutic activity of chemical compounds ormedicinal preparations (20) 20
acyclic or carbocyclic compounds (6) 6
index medicus (6) 6
chemistry, medicinal (5) 5
humans (5) 5
chemistry, multidisciplinary (4) 4
drug discovery (4) 4
enzymes (4) 4
introduction (4) 4
models, molecular (4) 4
parasitic diseases (4) 4
animals (3) 3
computational biology/bioinformatics (3) 3
computer applications in chemistry (3) 3
computer graphics and computer-aided design (3) 3
computer science applications (3) 3
computer science, information systems (3) 3
computer science, interdisciplinary applications (3) 3
design (3) 3
docking (3) 3
documentation and information in chemistry (3) 3
information technology (3) 3
library and information sciences (3) 3
metabolism (3) 3
parasites (3) 3
physical and theoretical chemistry (3) 3
proteins (3) 3
theoretical and computational chemistry (3) 3
tropical diseases (3) 3
bioinformatics (2) 2
biomimetic materials (2) 2
biomimetics (2) 2
catalysis (2) 2
cell-cycle (2) 2
computational biology - methods (2) 2
computer simulation (2) 2
crystal-structure (2) 2
data bases (2) 2
databases, factual (2) 2
derivatives (2) 2
docking/protecting group (2) 2
enzyme catalysis (2) 2
experiments (2) 2
fatalities (2) 2
hydroxylation (2) 2
internet (2) 2
kinases (2) 2
kinetics (2) 2
late-stage oxidation (2) 2
lead compounds (2) 2
ligands (2) 2
meeting abstracts (2) 2
molecular dynamics (2) 2
oxidation (2) 2
oxidation-reduction reaction (2) 2
p450bm3-mediated oxidation (2) 2
pharmacology (2) 2
poster presentation (2) 2
protecting groups (2) 2
protozoan proteins - antagonists & inhibitors (2) 2
research article (2) 2
studies (2) 2
virtual screening (2) 2
abdominal surgery (1) 1
achievements and awards (1) 1
acids (1) 1
adenosine triphosphate - metabolism (1) 1
agent-development (1) 1
aldehyde inhibitors (1) 1
aliphatic compounds (1) 1
amino acid sequence (1) 1
analog-digital-umsetzung (1) 1
antiparasitic agents - chemistry (1) 1
antiparasitic agents - pharmacology (1) 1
antiparasitic agents - therapeutic use (1) 1
antiparasitic chemotherapy (1) 1
antiparasitics (1) 1
arctic medicine. tropical medicine (1) 1
aromatic compounds (1) 1
article (1) 1
automated docking (1) 1
benzimidazoles - chemistry (1) 1
benzimidazoles - therapeutic use (1) 1
binding (1) 1
binding mode (1) 1
binding sites (1) 1
biochemistry (1) 1
biochemistry/bioinformatics (1) 1
biochemistry/drug discovery (1) 1
biology (1) 1
bleiverbindung (1) 1
bonds (1) 1
more...
Language Language
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 12/2018, Volume 24, Issue 68, p. n/a
Combining biocatalytic oxidation with protective‐group chemistry enables one to modulate the site of oxidation. Lead compounds protected with different... 
docking/protecting group | P450BM3-mediated oxidation | late-stage oxidation | enzyme catalysis | molecular dynamics | Molecular dynamics | Enzymes | Oxidation-reduction reaction | Lead compounds | Biomimetics | Organic chemistry | Hydroxylation | Protecting groups | Lead | Docking | Oxidation | Biomimetic materials | Derivatives
Journal Article
Journal Article
Chemistry Central Journal, ISSN 1752-153X, 6/2009, Volume 3, Issue S1, pp. 1 - 2
Journal Article
Journal of Cheminformatics, ISSN 1758-2946, 05/2012, Volume 4, Issue 1, pp. A1 - A1
  Doc number: A1 
Journal Article
PLoS Neglected Tropical Diseases, ISSN 1935-2727, 06/2015, Volume 9, Issue 6
  With the goal to identify novel trypanothione reductase (TR) inhibitors, we performed a combination of in vitro and in silico screening approaches. Starting... 
Proteins | Studies | Enzymes | Parasitic diseases | Fatalities | Parasites | Kinases | Metabolism | Experiments | Tropical diseases
Journal Article
Chemistry Central Journal, 2009, Volume 3, Issue 1
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 09/2005, Volume 45, Issue 5, pp. 1456 - 1467
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 09/2005, Volume 45, Issue 5, p. 1456
The tremendous increase of chemical data sets, both in size and number, and the simultaneous desire to speed up the drug discovery process has resulted in an... 
Pharmacology | Data mining | Chemicals | Data bases
Journal Article
Journal of Chemical Information and Computer Sciences, ISSN 0095-2338, 01/2002, Volume 42, Issue 1, pp. 46 - 57
A Web-based, graphical user interface has been developed to conduct rapid searches by numerous criteria in the more than 250 000 structures of the Open NCI... 
MODULE | DRUG INFORMATION-SYSTEM | GENERATION | SMILES | National Institutes of Health (U.S.) | User-Computer Interface | United States | Humans | Models, Molecular | Molecular Structure | Internet | Neoplasms | Databases, Factual
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 11/2006, Volume 46, Issue 6, p. 2342
In the field of in silico screening, many applications do not automatically consider possible tautomeric states of molecules. However, the detection of new... 
Data base management systems | Computer based modeling | Pharmacology | Silicon
Journal Article
Nachrichten aus der Chemie, ISSN 1439-9598, 12/2000, Volume 48, Issue 12, pp. 1507 - 1510
Journal Article
Nachrichten aus der Chemie, ISSN 1439-9598, 2000, Volume 48, Issue 12, pp. 1507 - 1511
Wer chemische Strukturen in Webbrowsern darstellen möchte, muss diese für die speziellen Datenformate mit Plug‐ins, Java‐Applets oder Active‐X‐Controls... 
Journal Article
No results were found for your search.

Cannot display more than 1000 results, please narrow the terms of your search.