X
Search Filters
Format Format
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
chemistry, physical (17) 17
protein folding (16) 16
proteins (16) 16
models, molecular (14) 14
index medicus (12) 12
molecular dynamics (12) 12
protein conformation (12) 12
analysis (10) 10
humans (10) 10
thermodynamics (10) 10
biophysics (9) 9
computer simulation (9) 9
molecular dynamics simulation (9) 9
protein (9) 9
kinetics (8) 8
materials science, multidisciplinary (8) 8
molecular-dynamics (8) 8
protein structure, secondary (8) 8
research (8) 8
efficiency (7) 7
energy (7) 7
hydrogen bonding (7) 7
molecular-dynamics simulations (7) 7
proteins - chemistry (7) 7
recombination (7) 7
solar cells (7) 7
spectroscopy (7) 7
algorithms (6) 6
biochemistry & molecular biology (6) 6
chemistry, multidisciplinary (6) 6
dynamics (6) 6
protein binding (6) 6
protein structure, tertiary (6) 6
stability (6) 6
article (5) 5
binding sites (5) 5
chemistry (5) 5
crystal-structure (5) 5
electrolytes (5) 5
nanoscience & nanotechnology (5) 5
peptides (5) 5
physics, atomic, molecular & chemical (5) 5
prealbumin - chemistry (5) 5
simulations (5) 5
amyloid - chemistry (4) 4
complexity (4) 4
conversion (4) 4
dielectric films (4) 4
diffusion (4) 4
free energy (4) 4
intermediate (4) 4
model (4) 4
models (4) 4
molecular structure (4) 4
nanocrystalline tio2 (4) 4
peptides - chemistry (4) 4
performance (4) 4
ruthenium sensitizers (4) 4
simulation (4) 4
temperature (4) 4
thin films (4) 4
transport (4) 4
usage (4) 4
alternative conformations (3) 3
band-edge movement (3) 3
binding free-energies (3) 3
biomolecules (3) 3
c: surfaces, interfaces, catalysis (3) 3
charge recombination (3) 3
continuum solvent (3) 3
crystallography, x-ray (3) 3
denaturation (3) 3
electrochemistry (3) 3
experiments (3) 3
fibril formation (3) 3
free-energy calculations (3) 3
hydrogen-ion concentration (3) 3
impedance (3) 3
injection (3) 3
ligand-binding (3) 3
low molecular mass organogelator (3) 3
network (3) 3
pathways (3) 3
photovoltage (3) 3
protein denaturation (3) 3
quasi-solid-state (3) 3
solar batteries (3) 3
surface passivation (3) 3
surfaces (3) 3
systems (3) 3
a-beta peptide (2) 2
alzheimers disease (2) 2
amyloid - metabolism (2) 2
amyloid beta-peptides - chemistry (2) 2
amyloid beta-protein (2) 2
amyloid deposit (2) 2
amyloid fibril formation (2) 2
aqueous solutions (2) 2
aqueous-solution (2) 2
architecture and energy conservation (2) 2
more...
Language Language
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Journal of Chemical Physics, ISSN 0021-9606, 10/2015, Volume 143, Issue 13, p. 135101
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 09/2019, Volume 151, Issue 10, p. 105101
The diffusion map is a dimensionality reduction method. The reduction coordinates are associated with the leading eigenfunctions of the backward Fokker–Planck... 
UNFOLDED STATE | FOLDING MECHANISMS | HIDDEN COMPLEXITY | STABILITY | KINETICS | EXPLORATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | TRP-CAGE | SIMULATION | PROTEINS | MARKOV STATE MODELS | Euclidean geometry | Molecular dynamics | Embedding | Cages | Free energy | Kernels | Geometry | Reduction | Dynamic tests | Maps | Energy | Correlation analysis | Hybrid systems | Eigenvectors | Diffusion
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 10/2017, Volume 121, Issue 42, pp. 9838 - 9847
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 05/2016, Volume 37, Issue 14, pp. 1251 - 1258
Journal Article
Journal Article
Proteins: Structure, Function, and Bioinformatics, ISSN 0887-3585, 10/2014, Volume 82, Issue 10, pp. 2585 - 2596
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 11/2013, Volume 139, Issue 18, p. 185101
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 11/2013, Volume 139, Issue 18
The thermodynamics and kinetics of protein folding and protein conformational changes are governed by the underlying free energy landscape. However, the... 
ARTICLES
Journal Article
Journal of Physical Chemistry C, ISSN 1932-7447, 08/2011, Volume 115, Issue 33, pp. 16418 - 16424
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 12/2009, Volume 113, Issue 52, pp. 21779 - 21783
In this study, we investigated the photoelectrochemical effect of guanidinium thiocyanate (GuSCN) in the base electrolyte composed of 1-methylbenzimidazole... 
C: Surfaces, Interfaces, Catalysis | RECOMBINATION | FILM | RUTHENIUM SENSITIZERS | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | ELECTRIC-POWER | NANOSCIENCE & NANOTECHNOLOGY | IONIC LIQUID ELECTROLYTE | CONVERSION EFFICIENCY | TRANSPORT | INJECTION | NANOCRYSTALLINE TIO2 | CHARGE-TRANSFER
Journal Article
Journal of Photochemistry & Photobiology, A: Chemistry, ISSN 1010-6030, 05/2016, Volume 321, p. 19
* The doped Mg ions as a major recombination channels in dyed Mg.sup.2+-doped TiO.sub.2 solar cells with Li.sup.+ electrolyte. * The increase in IPCE at long... 
Thin films | Solar cells | Architecture and energy conservation | Solar batteries | Electrolytes | Dielectric films | Investigations
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 05/2001, Volume 105, Issue 21, pp. 5055 - 5067
We have developed a fast procedure to predict solvation free energies for both organic and biological molecules. This solvation model is based on weighted... 
FREE-ENERGY CALCULATIONS | GENERALIZED-BORN MODEL | LIGAND-BINDING | SPECIFICITY | CONTINUUM SOLVENT | DYNAMICS | CHEMISTRY, PHYSICAL | FORCE-FIELD | BINDING FREE-ENERGIES | DIELECTRIC MEDIUM | AQUEOUS-SOLUTION | Biomolecules | Research | Chemistry, Physical organic | Protein folding | Analysis
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 05/2016, Volume 37, Issue 14, pp. 1251 - 1258
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 08/2011, Volume 115, Issue 33, pp. 16418 - 16424
The effect of Mg2+ ions substituted into the anatase lattice on the charge recombination and band-edge movement in dye-sensitized solar cells was investigated... 
C: Surfaces, Interfaces, Catalysis | COLLECTION | PHOTOVOLTAGE | RUTHENIUM SENSITIZERS | CONVERSION | PERFORMANCE | MATERIALS SCIENCE, MULTIDISCIPLINARY | ELECTRODES | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | ELECTROLYTES | SPECTROSCOPY | SURFACE PASSIVATION | EFFICIENCY
Journal Article
Journal of Power Sources, ISSN 0378-7753, 06/2015, Volume 284, pp. 582 - 587
Journal Article
Journal Article