X
Search Filters
Format Format
Format Format
X
Sort by Item Count (A-Z)
Filter by Count
Journal Article (122) 122
Publication (33) 33
Book Chapter (3) 3
Conference Proceeding (2) 2
Dissertation (2) 2
Patent (2) 2
Book Review (1) 1
more...
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
index medicus (65) 65
humans (37) 37
proteins (28) 28
models, molecular (25) 25
article (24) 24
surgery (22) 22
female (19) 19
analysis (18) 18
ligands (18) 18
proteins - chemistry (17) 17
male (16) 16
protein binding (16) 16
middle aged (14) 14
abridged index medicus (13) 13
aged (13) 13
binding sites (13) 13
biochemistry & molecular biology (13) 13
protein conformation (13) 13
research (13) 13
drug discovery (12) 12
protein folding (12) 12
biophysics (10) 10
medicine & public health (10) 10
multidisciplinary sciences (10) 10
thermodynamics (10) 10
chemistry, multidisciplinary (9) 9
kinetics (9) 9
medicine (9) 9
animals (8) 8
binding (8) 8
cancer (8) 8
crystal structure (8) 8
design (8) 8
gastroenterology (8) 8
mortality (8) 8
proteins - metabolism (8) 8
computational biology (7) 7
computer simulation (7) 7
conformer generation (7) 7
gastroenterology & hepatology (7) 7
oncology (7) 7
prediction (7) 7
protein-protein interactions (7) 7
research article (7) 7
biochemical research methods (6) 6
biology (6) 6
cell biology (6) 6
chemistry (6) 6
chemistry, medicinal (6) 6
enzymes (6) 6
mice (6) 6
outcomes (6) 6
protein structure, tertiary (6) 6
retrospective studies (6) 6
risk factors (6) 6
software (6) 6
structure (6) 6
adult (5) 5
amino acid sequence (5) 5
chemical properties (5) 5
clinical-trials (5) 5
complications (5) 5
docking (5) 5
expression (5) 5
mechanisms (5) 5
molecular structure (5) 5
mutation (5) 5
peptides (5) 5
prospective studies (5) 5
recurrence (5) 5
science (5) 5
stem cells (5) 5
structure-activity relationship (5) 5
studies (5) 5
tumors (5) 5
a-chain (4) 4
affinity (4) 4
algorithms (4) 4
biochemistry (4) 4
clinical trials (4) 4
computer science, interdisciplinary applications (4) 4
database (4) 4
denaturation (4) 4
follow-up studies (4) 4
gene expression (4) 4
infection (4) 4
inhibitors (4) 4
ligand docking (4) 4
ligand-binding (4) 4
mechanism (4) 4
medical screening (4) 4
methods (4) 4
molecular biology (4) 4
molecular docking simulation (4) 4
molecular dynamics (4) 4
molecular-dynamics (4) 4
physiological aspects (4) 4
point mutation (4) 4
postoperative complications - etiology (4) 4
prognosis (4) 4
more...
Language Language
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Nature Methods, ISSN 1548-7091, 04/2010, Volume 7, Issue 4, pp. 291 - 294
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 06/2017, Volume 38, Issue 16, pp. 1321 - 1331
Water engages in two important types of interactions near biomolecules: it forms ordered “cages” around exposed hydrophobic regions, and it participates in... 
implicit solvation | hydration thermodynamics | Rosetta energy function
Journal Article
Journal of Medicinal Chemistry, ISSN 0022-2623, 07/2017, Volume 60, Issue 13, pp. 5940 - 5940
Journal Article
Journal Article
Journal of Medicinal Chemistry, ISSN 0022-2623, 01/2017, Volume 60, Issue 1, pp. 128 - 145
Traditional hit-to-lead optimization assumes that upon elaboration of chemical structure, the ligand retains its binding mode relative to the receptor. Here,... 
MYCOBACTERIUM-TUBERCULOSIS | PREDICTING POCKET DRUGGABILITY | SALICYLATE SYNTHASE | CHEMISTRY, MEDICINAL | CONFORMER GENERATION | ACTIVE-SITE | DRUG DISCOVERY | COMPLEXES | PDBBIND DATABASE | PROTEIN-LIGAND | CARBONIC-ANHYDRASE INHIBITORS | Models, Molecular | Ligands | Molecular Structure | Structure-Activity Relationship
Journal Article
Current Opinion in Structural Biology, ISSN 0959-440X, 2009, Volume 19, Issue 4, pp. 458 - 463
Journal Article
Current Topics in Medicinal Chemistry, ISSN 1568-0266, 2017, Volume 17, Issue 23, pp. 2703 - 2714
Journal Article
Scientific Reports, ISSN 2045-2322, 12/2019, Volume 9, Issue 1, pp. 2650 - 15
Differential scanning fluorimetry (DSF), also known as ThermoFluor or Thermal Shift Assay, has become a commonly-used approach for detecting protein-ligand... 
LIGAND-BINDING | CIRCULAR-DICHROISM | THERMODYNAMICS | INHIBITION | PROTEIN-STABILITY | MULTIDISCIPLINARY SCIENCES | DENATURATION | DIFFERENTIAL SCANNING FLUOROMETRY | THERMAL SHIFT ASSAYS | DETECT | HEAT-CAPACITY | Proteins | Temperature effects | Protein folding | Isoforms | Data processing | Ligands | Maltose-binding protein | Maltose
Journal Article
JOURNAL OF COMPUTATIONAL CHEMISTRY, ISSN 0192-8651, 06/2017, Volume 38, Issue 16, pp. 1321 - 1331
Water engages in two important types of interactions near biomolecules: it forms ordered cages around exposed hydrophobic regions, and it participates in... 
CONFORMER GENERATION | SAMPL4 CHALLENGE | hydration thermodynamics | CHEMISTRY, MULTIDISCIPLINARY | PROTEIN-PROTEIN INTERFACES | HYDRATION | PREDICTION | implicit solvation | DATABASE | AQUEOUS SOLVATION | ENERGY FUNCTION | CONSEQUENCES | Rosetta energy function | MOLECULAR-DYNAMICS SIMULATIONS
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 02/2016, Volume 56, Issue 2, p. 399
  Protein-protein interactions play important roles in virtually all cellular processes, making them enticing targets for modulation by small-molecule... 
Proteins | Analytical chemistry | Molecular structure | Cells | Binding sites
Journal Article
Journal Article