X
Search Filters
Format Format
Format Format
X
Sort by Item Count (A-Z)
Filter by Count
Journal Article (277) 277
Patent (32) 32
Publication (24) 24
Book Chapter (18) 18
Book / eBook (6) 6
Conference Proceeding (2) 2
Reference (2) 2
Web Resource (1) 1
more...
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
index medicus (70) 70
chemistry, medicinal (59) 59
models, molecular (56) 56
humans (55) 55
structure-activity relationship (30) 30
binding sites (29) 29
animals (27) 27
ligands (25) 25
pharmacology & pharmacy (23) 23
biochemistry & molecular biology (22) 22
drug design (22) 22
molecular structure (22) 22
computer simulation (21) 21
proteins (21) 21
quantitative structure-activity relationship (20) 20
chemistry (18) 18
analysis (17) 17
computer science, interdisciplinary applications (17) 17
metabolism (17) 17
mineralogy (17) 17
algorithms (16) 16
chemistry, multidisciplinary (16) 16
protein binding (16) 16
binding (15) 15
molecules (15) 15
software (15) 15
chemistry, analytical (14) 14
geochemistry (14) 14
derivatives (13) 13
identification (13) 13
models (13) 13
pharmacokinetics (13) 13
discovery (12) 12
favorable binding-sites (12) 12
ne sardinia (12) 12
drugs (11) 11
optimization (11) 11
qsar (11) 11
rocks (11) 11
computer science, information systems (10) 10
design (10) 10
drug discovery (10) 10
enzyme inhibitors - chemistry (10) 10
geochemistry & geophysics (10) 10
inhibitors (10) 10
molecular interaction fields (10) 10
pharmaceutical preparations - chemistry (10) 10
pharmacology (10) 10
prediction (10) 10
protein conformation (10) 10
human necessities (9) 9
in-vitro (9) 9
lipids (9) 9
mass spectrometry (9) 9
metabolites (9) 9
models, chemical (9) 9
molecular conformation (9) 9
multivariate analysis (9) 9
pls (9) 9
proteins - chemistry (9) 9
research (9) 9
sardinia (9) 9
variscan orogeny (9) 9
variscan sardinia (9) 9
amusements (8) 8
binding-sites (8) 8
biophysics (8) 8
crystal-structure (8) 8
evolution (8) 8
games (8) 8
geosciences, multidisciplinary (8) 8
in vitro techniques (8) 8
microbial sensitivity tests (8) 8
pharmaceutical preparations - metabolism (8) 8
physiological aspects (8) 8
rats (8) 8
sports (8) 8
anti-bacterial agents - pharmacology (7) 7
enzyme inhibitors - pharmacology (7) 7
enzymes (7) 7
female (7) 7
flap (7) 7
hydrogen bonding (7) 7
hydrophobic and hydrophilic interactions (7) 7
mass-spectrometry (7) 7
multidisciplinary sciences (7) 7
peptides (7) 7
permeability (7) 7
physical chemistry (7) 7
reproducibility of results (7) 7
thermodynamics (7) 7
animal anatomy / morphology / histology (6) 6
antagonists (6) 6
apparatus for physical training, gymnastics, swimming,climbing, or fencing (6) 6
ball games (6) 6
bioinformatics (6) 6
calcium channel blockers - pharmacology (6) 6
chemical phenomena (6) 6
chemical reactions (6) 6
chemistry, organic (6) 6
more...
Library Location Library Location
Language Language
Language Language
X
Sort by Item Count (A-Z)
Filter by Count
English (302) 302
Italian (32) 32
German (2) 2
French (1) 1
Latin (1) 1
Portuguese (1) 1
Spanish (1) 1
more...
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


2006, ISBN 3527310878, Volume 27, xviii, 307
This unique reference source, edited by the world's most respected expert on molecular interaction field software, covers all relevant principles of the GRID... 
Computer simulation | Biomolecules | Chemical reactions | Drug development | Physiological effect | Forecasting | Chemicals | Pharmaceutical chemistry | Structure-activity relationships (Biochemistry)
Book
Free Radical Biology and Medicine, ISSN 0891-5849, 05/2018, Volume 120, p. S128
To access, purchase, authenticate, or subscribe to the full-text of this article, please visit this link: http://dx.doi.org/10.1016/j.freeradbiomed.2018.04.423 
Tocopherols | Enzymes | Lipids | Metabolites | Mass spectrometry
Journal Article
Free Radical Biology and Medicine, ISSN 0891-5849, 05/2018, Volume 120, pp. S128 - S128
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 11/2007, Volume 47, Issue 6, pp. 2172 - 2181
One of the most important physicochemical properties of a molecule is pKa. It is known that two parameters imperative in ADME profiling, solubility, and... 
Ions - chemistry | Models, Chemical | Nitrogen - chemistry | Pharmaceutical Preparations - chemistry | Phenols | Furans | Molecular Structure | Databases, Factual
Journal Article
eBook
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 4/2012, Volume 109, Issue 16, pp. 6247 - 6252
Influenza viruses are the cause of yearly epidemics and occasional pandemics that represent a significant challenge to public health. Current control... 
Proteins | Molecules | Influenza A virus | RNA | Molecular interactions | Antivirals | Viruses | Orthomyxoviridae | Cytotoxicity | Inhibitory concentration 50 | COMPLEX-FORMATION | IN-VITRO | NEURAMINIDASE INHIBITORS | REPLICATION | PB1 PROTEIN | STRUCTURAL BASIS | CRYSTAL-STRUCTURE | MULTIDISCIPLINARY SCIENCES | PA-BINDING | PEPTIDE | RNA-POLYMERASE | Small Molecule Libraries - pharmacology | Influenza A Virus, H3N2 Subtype - drug effects | Humans | Influenza A virus - genetics | RNA Replicase - metabolism | Drug Resistance, Viral | Influenza A Virus, H3N2 Subtype - metabolism | Green Fluorescent Proteins - genetics | Influenza A Virus, H3N2 Subtype - genetics | Protein Subunits - metabolism | Influenza B virus - genetics | Protein Binding - drug effects | HEK293 Cells | Inhibitory Concentration 50 | Influenza B virus - drug effects | Influenza A Virus, H1N1 Subtype - genetics | Influenza A Virus, H1N1 Subtype - metabolism | Vero Cells | Oseltamivir - pharmacology | Protein Structure, Tertiary | Cell Line | Cell Survival - drug effects | Green Fluorescent Proteins - metabolism | Antiviral Agents - pharmacology | Cells, Cultured | Models, Molecular | Influenza A Virus, H1N1 Subtype - drug effects | Microscopy, Confocal | Animals | Influenza A virus - metabolism | RNA Replicase - chemistry | Cell Line, Tumor | Influenza B virus - metabolism | Protein Subunits - chemistry | Influenza A virus - drug effects | Influenza viruses | Disease transmission | Viral genetics | Transferases | Physiological aspects | Genetic aspects | Research | Health aspects | Biological Sciences
Journal Article
Journal of Chemometrics, ISSN 0886-9383, 02/2018, Volume 32, Issue 2, p. e2957
Journal Article
Journal of Computer-Aided Molecular Design, ISSN 0920-654X, 8/2019, Volume 33, Issue 8, pp. 699 - 703
This editorial discusses the foundation of aspects of computational chemistry and is a tribute to Peter Goodford, one of those founders, who recently passed... 
Chemistry | Peter Goodford | International School of Crystallography | Physical Chemistry | Tribute | Grid | Animal Anatomy / Morphology / Histology | Oxford | Founder | Computer Applications in Chemistry | Erice | Organic chemistry | Computational chemistry
Journal Article
Italian Journal of Geosciences, ISSN 2038-1719, 02/2020, Volume 139, Issue 1, pp. 1 - 18
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 11/2007, Volume 47, Issue 6, pp. 2172 - 2181
One of the most important physicochemical properties of a molecule is pK a. It is known that two parameters imperative in ADME profiling, solubility, and... 
CHEMISTRY, MEDICINAL | CONSTANTS | COMPUTER SCIENCE, INFORMATION SYSTEMS | DESCRIPTORS | CHEMISTRY, MULTIDISCIPLINARY | FINGERPRINTS | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | DISSOCIATION | METABOLISM | PLS | VALUES | IONIZATION | CARBOXYLIC-ACIDS
Journal Article
Journal Article
Journal of Medicinal Chemistry, ISSN 0022-2623, 06/2003, Volume 46, Issue 12, pp. 2313 - 2324
Journal Article
RSC Advances, ISSN 2046-2069, 2015, Volume 5, Issue 30, pp. 23865 - 23873
To date, the most common way of screening new potential sensitizers for dye sensitized solar cells is via the traditional time and money consuming trial and... 
REGRESSION | RECOMBINATION | 1,10-PHENANTHROLINE | DYES | COMPLEXES | PHOTOSENSITIZERS | LIGHT | NANOCRYSTALLINE TIO2 | OPTIMIZATION | CHEMISTRY, MULTIDISCIPLINARY | MOLECULES | Solar cells | Volatile organic compounds | Construction | Databases | Ruthenium | Photovoltaic cells | Materials science | Mathematical models
Journal Article