X
Search Filters
Format Format
Format Format
X
Sort by Item Count (A-Z)
Filter by Count
Journal Article (130) 130
Conference Proceeding (41) 41
Patent (39) 39
Magazine Article (5) 5
Book Chapter (3) 3
Dissertation (2) 2
Book / eBook (1) 1
Reference (1) 1
more...
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
index medicus (31) 31
physics (25) 25
investigating or analysing materials by determining theirchemical or physical properties (19) 19
measuring (19) 19
testing (19) 19
human necessities (16) 16
humans (16) 16
protein binding (16) 16
peptide interaction interface (15) 15
binding (14) 14
hygiene (14) 14
medical or veterinary science (14) 14
preparations for medical, dental, or toilet purposes (14) 14
specific therapeutic activity of chemical compounds ormedicinal preparations (14) 14
molecular docking simulation (13) 13
molecular dynamics simulation (13) 13
chemistry, physical (12) 12
protein kinase inhibitors - chemistry (12) 12
binding sites (11) 11
physics, atomic, molecular & chemical (11) 11
proteins (11) 11
biochemistry & molecular biology (10) 10
chemistry (10) 10
free-energy calculations (10) 10
protein kinase inhibitors - pharmacology (10) 10
boltzmann surface-area (9) 9
molecular-mechanics (9) 9
docking (8) 8
force-fields (8) 8
heterocyclic compounds (8) 8
metallurgy (8) 8
molecular-dynamics (8) 8
organic chemistry (8) 8
protein (8) 8
sequential circuits (8) 8
chemistry, multidisciplinary (7) 7
drug discovery (7) 7
free-energy (7) 7
kinases (7) 7
ligands (7) 7
optics (7) 7
rho-associated kinases - antagonists & inhibitors (7) 7
anaplastic lymphoma kinase (6) 6
article (6) 6
computer science (6) 6
computer science, interdisciplinary applications (6) 6
continuum models (6) 6
dielektrizitätskonstante (6) 6
electrodes (6) 6
experimental-data (6) 6
experimentelle daten (6) 6
force-field (6) 6
freie energie (6) 6
inhibitors (6) 6
models, molecular (6) 6
multidisciplinary sciences (6) 6
mutation (6) 6
pharmacology & pharmacy (6) 6
protein conformation (6) 6
affinity (5) 5
affinität (5) 5
algorithms (5) 5
animals (5) 5
cancer (5) 5
chemistry, medicinal (5) 5
computer science, information systems (5) 5
delay (5) 5
discovery (5) 5
drug-resistance (5) 5
engineering, electrical & electronic (5) 5
field programmable gate arrays (5) 5
free energy (5) 5
histogram analysis method (5) 5
inhibitory concentration 50 (5) 5
liquid crystals (5) 5
lung-cancer (5) 5
molekulardynamik (5) 5
protein kinase inhibitors - metabolism (5) 5
receptors (5) 5
structure-activity relationship (5) 5
thermodynamics (5) 5
very large scale integration (5) 5
voltage (5) 5
calculating (4) 4
cell line, tumor (4) 4
clocks (4) 4
combinational circuits (4) 4
computer science, hardware & architecture (4) 4
computer simulation (4) 4
computing (4) 4
counting (4) 4
design automation (4) 4
devices (4) 4
dielectric-constant (4) 4
entropy (4) 4
field-of-force (4) 4
flexibility (4) 4
indium tin oxide (4) 4
kinase (4) 4
kraftfeld (4) 4
more...
Language Language
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Physical Chemistry Chemical Physics, ISSN 1463-9076, 2018, Volume 20, Issue 7, pp. 4851 - 4863
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 08/2016, Volume 18, Issue 32, pp. 22129 - 22139
Understanding protein-protein interactions (PPIs) is quite important to elucidate crucial biological processes and even design compounds that interfere with... 
Binding | Dielectric constant | Accuracy | Scoring | Docking | Affinity | Mathematical models | Atomic structure
Journal Article
IEEE Transactions on Computer-Aided Design of Integrated Circuits and Systems, ISSN 0278-0070, 10/2018, pp. 1 - 1
With the recent advancement of multilayer convolutional neural networks (CNN) and fully connected networks (FCN), deep learning has achieved amazing success in... 
deep learning | CNN FPGA engine | Graphics processing units | convolutional neural network | Bandwidth | Machine learning | Caffe | hardware/software co-design | Acceleration | Kernel | Field programmable gate arrays | Engines
Journal Article
Journal of medicinal chemistry, ISSN 0022-2623, 08/2019
s a receptor tyrosine kinase of insulin receptor (IR) subfamily, anaplastic lymphoma kinase (ALK) has been demonstrated to play important roles in a variety of... 
Journal Article
Scientific reports, ISSN 2045-2322, 12/2019, Volume 9, Issue 1, pp. 622 - 7
Breast cancer brain metastasis (BCBM) remains a major clinical problem. Approximately 10-16% of patients with breast cancer develop brain metastases (BCBM).... 
MULTIDISCIPLINARY SCIENCES | EVOLUTION | REVEALS
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 09/2014, Volume 16, Issue 40, pp. 22035 - 22045
With the rapid development of computational techniques and hardware, more rigorous and precise theoretical models have been used to predict the binding... 
Tyrosine | Dielectric constant | Accuracy | Computer simulation | Docking | Mathematical models | Computational efficiency | Kinases
Journal Article
Journal Article
IEEE Transactions on Computer-Aided Design of Integrated Circuits and Systems, ISSN 0278-0070, 11/2019, Volume 38, Issue 11, pp. 2072 - 2085
Journal Article
ISSN 1463-9076, 2/2018, Volume 2, Issue 7, pp. 4851 - 4863
Anaplastic lymphoma kinase (ALK) has been regarded as a promising target for the therapy of various cancers. A large number of ALK inhibitors with diverse... 
Journal Article
Scientific Reports, ISSN 2045-2322, 11/2015, Volume 5, Issue 1, p. 16749
Rho-associated kinases (ROCKs) have been regarded as promising drug targets for the treatment of cardiovascular diseases, nervous system diseases and cancers.... 
BINDING PROTEIN RHO | TARGET | FREE-ENERGY CALCULATIONS | PHOSPHORYLATION | DOCKING | MULTIDISCIPLINARY SCIENCES | DRUG DISCOVERY | FLEXIBILITY | RHO-KINASE INHIBITOR | MOLECULAR-MECHANICS | PREDICTION | Human Umbilical Vein Endothelial Cells | Pyridines - chemistry | Humans | Structure-Activity Relationship | rho-Associated Kinases - antagonists & inhibitors | Actin Depolymerizing Factors - metabolism | Protein Kinase Inhibitors - chemistry | rho-Associated Kinases - metabolism | Databases, Protein | Cerebral Hemorrhage - prevention & control | Inhibitory Concentration 50 | Amides - metabolism | Phosphorylation - drug effects | Pyrroles - therapeutic use | Binding Sites | Disease Models, Animal | Pyridines - therapeutic use | Cerebral Hemorrhage - chemically induced | Protein Structure, Tertiary | Pyrroles - metabolism | Zebrafish | Atorvastatin - pharmacology | Enzyme Activation - drug effects | Animals | Pyridines - metabolism | Signal Transduction - drug effects | Databases, Chemical | Protein Kinase Inhibitors - therapeutic use | Amides - chemistry | Pyrroles - chemistry | Molecular Docking Simulation | Protein Kinase Inhibitors - pharmacology | Pyridines | Signal transduction | Phosphorylation | Nervous system diseases | Atorvastatin | Nervous system | Mapping | Structure-activity relationships | Cardiovascular diseases | Hemorrhage
Journal Article
IEEE Transactions on Microwave Theory and Techniques, ISSN 0018-9480, 11/2012, Volume 60, Issue 11, pp. 3491 - 3501
Journal Article
Current Drug Targets, ISSN 1389-4501, 2016, Volume 17, Issue 14, pp. 1586 - 1594
Protein-protein interactions (PPIs) play important roles in a variety of biological processes, and many PPIs have been regarded as biologically compelling... 
Protein-protein docking | Scoring function | Ranking | Acceleration | GPU | Machine learning | HIGH-PERFORMANCE | protein-protein docking | scoring function | CAPRI | AUTOMATED DOCKING | IMPLEMENTATION | SHAPE COMPLEMENTARITY | machine learning | GENETIC ALGORITHM | REFINEMENT | PHARMACOLOGY & PHARMACY | ranking | ELECTROSTATICS | MOLECULAR-DYNAMICS SIMULATIONS
Journal Article
Cancer Letters, ISSN 0304-3835, 12/2016, Volume 383, Issue 1, pp. 115 - 124
Acriflavine (ACF), a known antibacterial drug, has recently been recognized as a suitable candidate for cancer chemotherapy. However, the molecular target of... 
DNA-PKcs | Target identification | Acriflavine | Melphalan | p53 | MULTIPLE-MYELOMA | DEPENDENT PROTEIN-KINASE | DOUBLE-STRAND BREAKS | TUMOR-CELLS | Acrifiavine | MAMMALIAN-CELLS | REPLICATION FORKS | ONCOLOGY | COLORECTAL-CANCER | LEUKEMIA-CELLS | CELL-CYCLE | HOMOLOGOUS RECOMBINATION | DNA-Activated Protein Kinase - antagonists & inhibitors | Apoptosis - drug effects | Humans | Antineoplastic Agents, Alkylating - pharmacology | DNA Breaks, Double-Stranded | Tumor Suppressor Protein p53 - genetics | Antineoplastic Combined Chemotherapy Protocols - pharmacology | Dose-Response Relationship, Drug | Neoplasms - genetics | Time Factors | DNA-Activated Protein Kinase - metabolism | Melphalan - pharmacology | Acriflavine - metabolism | Acriflavine - pharmacology | HCT116 Cells | Tumor Suppressor Protein p53 - metabolism | Neoplasms - enzymology | Nuclear Proteins - metabolism | Comet Assay | Neoplasms - drug therapy | Drug Synergism | Xenograft Model Antitumor Assays | Animals | Signal Transduction - drug effects | Tumor Burden - drug effects | Mice, Nude | Nuclear Proteins - antagonists & inhibitors | Protein Binding | Cell Proliferation - drug effects | Molecular Docking Simulation | Protein Kinase Inhibitors - pharmacology | HeLa Cells | Neoplasms - pathology | Protein Kinase Inhibitors - metabolism | Medical colleges | Chemotherapy | DNA | Drug therapy, Combination | Tumor proteins | Protein kinases | Cancer | DNA damage | Proteins | Immunoglobulins | Efficiency | Rodents | Kinases | Cancer therapies | Deoxyribonucleic acid--DNA | Index Medicus
Journal Article