X
Search Filters
Format Format
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
index medicus (29) 29
models, molecular (15) 15
physics, atomic, molecular & chemical (14) 14
chemistry, physical (13) 13
molecular dynamics simulation (13) 13
proteins (13) 13
biochemistry & molecular biology (12) 12
computer simulation (12) 12
protein (12) 12
protein conformation (12) 12
molecular dynamics (11) 11
biophysics (10) 10
protein binding (10) 10
crystal-structure (9) 9
humans (9) 9
thermodynamics (9) 9
algorithms (8) 8
chemistry, multidisciplinary (8) 8
energy landscape (8) 8
force-field (8) 8
molecular-dynamics simulations (8) 8
analysis (7) 7
binding (7) 7
ligands (7) 7
molecular-dynamics (7) 7
simulation (7) 7
simulations (7) 7
water (7) 7
animals (6) 6
binding sites (6) 6
crystallography, x-ray (6) 6
peptide (6) 6
water - chemistry (6) 6
disordered conformations (5) 5
docking (5) 5
ensemble (5) 5
explicit water (5) 5
hydrogen bonding (5) 5
molecular structure (5) 5
prediction (5) 5
protein structure, tertiary (5) 5
solvents (5) 5
system (5) 5
temperature (5) 5
amino acid sequence (4) 4
energy (4) 4
enzymes (4) 4
free-energy landscape (4) 4
liquid water (4) 4
models (4) 4
multidisciplinary sciences (4) 4
particle mesh ewald (4) 4
polypeptides (4) 4
adenosine triphosphate - metabolism (3) 3
all-atom model (3) 3
all‐atom model (3) 3
analytical chemistry (3) 3
beta-hairpin (3) 3
beta-hairpin peptide (3) 3
biochemistry (3) 3
biopolymers (3) 3
chemistry (3) 3
chromophore (3) 3
circular dichroism (3) 3
circular-dichroism (3) 3
crystal structure (3) 3
dielectric-properties (3) 3
drug-binding (3) 3
dynein (3) 3
herg (3) 3
insights (3) 3
kinetics (3) 3
ligand-binding (3) 3
medicine (3) 3
model (3) 3
molecular docking (3) 3
molecules (3) 3
multicanonical molecular dynamics (3) 3
ppar gamma - chemistry (3) 3
ppar gamma - genetics (3) 3
ppar gamma - metabolism (3) 3
prostaglandin d2 - analogs & derivatives (3) 3
proteins - chemistry (3) 3
quantitative structure-activity relationship (3) 3
research article (3) 3
science (3) 3
static electricity (3) 3
systems (3) 3
thermal stability (3) 3
wolf method (3) 3
accuracy (2) 2
adenosine triphosphatases - metabolism (2) 2
alpha (2) 2
alpha-helix (2) 2
alzheimers-disease (2) 2
amino acids (2) 2
amino acids - chemistry (2) 2
amyloid beta-peptides - chemistry (2) 2
antibodies (2) 2
bacterial proteins - chemistry (2) 2
more...
Language Language
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Protein Science, ISSN 0961-8368, 02/2019, Volume 28, Issue 2, pp. 429 - 438
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 10/2016, Volume 56, Issue 10, pp. 2005 - 2012
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 06/2017, Volume 13, Issue 6, pp. 2389 - 2399
Journal Article
Journal Article
BIOPHYSICAL JOURNAL, ISSN 0006-3495, 02/2019, Volume 116, Issue 3, pp. 59A - 59A
Conference Proceeding
Journal of biochemistry, ISSN 0021-924X, 03/2019, Volume 166, Issue 2, pp. 149 - 156
A cutinase from Saccharomonospora viridis AHK190, Cut190, can hydrolyze polyethylene terephthalate and has a unique feature that the activity and stability are... 
Index Medicus
Journal Article
Protein Engineering, Design and Selection, ISSN 1741-0126, 11/2016, Volume 29, Issue 11, pp. 477 - 484
Abstract The antigen-binding site of antibodies, also known as complementarity-determining region (CDR), has hypervariable sequence properties. In particular,... 
crystal packing | multicanonical molecular dynamics simulation | antibody | free energy landscape | CDR-H3 loop | PROTEIN | SINGLE | CRYSTAL-STRUCTURE | BIOCHEMISTRY & MOLECULAR BIOLOGY | CONFORMATIONS | BIOTECHNOLOGY & APPLIED MICROBIOLOGY | STRUCTURAL CLASSIFICATION | MOLECULAR-DYNAMICS SIMULATIONS | FREE-ENERGY | BINDING | Original
Journal Article
BBA - Proteins and Proteomics, ISSN 1570-9639, 03/2018, Volume 1866, Issue 3, p. 415
To access, purchase, authenticate, or subscribe to the full-text of this article, please visit this link: http://dx.doi.org/10.1016/j.bbapap.2017.12.004... 
Thermodynamics | Enzymes | Analysis | Crystals | Molecular dynamics | Structure
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 05/2013, Volume 568-569, pp. 26 - 32
The zero-dipole summation (ZD) method recently developed as one of the non-Ewald methods was extensively applied to a molecular dynamics (MD) simulation of a... 
CRYSTAL-STRUCTURE | COUPLED RECEPTOR | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | LIQUID WATER | CHEMISTRY, PHYSICAL | PARTICLE MESH EWALD | RANGE ELECTROSTATIC INTERACTIONS
Journal Article
Journal of Physical Chemistry B, ISSN 1520-6106, 03/2019, Volume 123, Issue 11, pp. 2479 - 2490
A medium-sized and highly flexible inhibitor to the enzyme beta-secretase 1 (BACE), which produces the amyloid beta-peptide by cleavage of its precursor... 
BETA-HAIRPIN | PROTEIN | FORCE | FREE-ENERGY LANDSCAPE | APP CLEAVING ENZYME | CHEMISTRY, PHYSICAL | COMPLEX STRUCTURE | BINDING | PEPTIDE | STRUCTURE-BASED DESIGN | FLEXIBLE DOCKING
Journal Article