X
Search Filters
Format Format
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
electricity (52) 52
electric communication technique (51) 51
proteins (38) 38
wireless communications networks (38) 38
molecular dynamics (37) 37
index medicus (35) 35
chemistry, physical (23) 23
transmission of digital information, e.g. telegraphiccommunication (23) 23
chemistry, multidisciplinary (22) 22
multiplex communication (22) 22
physics, atomic, molecular & chemical (21) 21
wpan (21) 21
molecular dynamics simulation (20) 20
transmission (19) 19
engineering, electrical & electronic (18) 18
simulations (18) 18
computer simulation (17) 17
millimeter-wave (17) 17
ofdm (16) 16
protein (16) 16
protein conformation (16) 16
wireless personal area networks (16) 16
sampling (15) 15
water (15) 15
bit error rate (14) 14
molecular-dynamics (14) 14
molecular-dynamics simulations (14) 14
physical layer (14) 14
protein folding (14) 14
monte-carlo (13) 13
physics (13) 13
simulation (13) 13
millimeter wave communication (12) 12
resampling (12) 12
systems (12) 12
telecommunications (12) 12
male (11) 11
multi-gbps (11) 11
throughput (11) 11
algorithms (9) 9
analysis (9) 9
free-energy calculations (9) 9
histogram analysis method (9) 9
humans (9) 9
millimeter wave technology (9) 9
replica-exchange method (9) 9
thermodynamics (9) 9
free energy (8) 8
molekulardynamik (8) 8
wireless communication (8) 8
60 ghz (7) 7
algorithm (7) 7
binding (7) 7
channel estimation (7) 7
computer science, information systems (7) 7
conformational sampling (7) 7
degradation (7) 7
mimo (7) 7
pathways (7) 7
radiofrequency interference (7) 7
restarting (7) 7
calculating (6) 6
computer science, interdisciplinary applications (6) 6
computing (6) 6
counting (6) 6
cross layer (6) 6
delay (6) 6
electric digital data processing (6) 6
fading (6) 6
flooding (6) 6
folding (6) 6
force-field (6) 6
free-energy (6) 6
histograms (6) 6
interchannel interference (6) 6
interference (6) 6
media access protocol (6) 6
molekulardynamische simulation (6) 6
multicanonical ensemble (6) 6
performing operations (6) 6
proteins - chemistry (6) 6
standardization (6) 6
string method (6) 6
time division multiple access (6) 6
transporting (6) 6
channels (5) 5
collective motions (5) 5
communications technology (5) 5
efficient (5) 5
ieee 802.15.3c (5) 5
lysozyme (5) 5
magnetic resonance imaging (5) 5
model (5) 5
nylon-oligomer hydrolase (5) 5
pacs-md (5) 5
protein binding (5) 5
scheme (5) 5
transmitting antennas (5) 5
villin headpiece subdomain (5) 5
animals (4) 4
more...
Language Language
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Biophysical Journal, ISSN 0006-3495, 01/2014, Volume 106, Issue 2, pp. 411a - 411a
Journal Article
ISSN 1463-9076, 7/2018, Volume 2, Issue 26, pp. 1779 - 17798
Parallel cascade selection molecular dynamics (PaCS-MD) is a conformational sampling method for generating transition pathways between a given reactant and a... 
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 07/2018, Volume 58, Issue 7, p. 1397
Structural dissimilarity sampling (SDS) has been proposed as an enhanced conformational sampling method for finding neighboring metastable states of a given... 
Water | Dynamic structural analysis | Temperature | Molecular dynamics | Proteins | Molecules | Restarting | Simulation | Metastable state | Dimers | Resampling | Deviation | Sampling | Lysozyme
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 12/2017, Volume 57, Issue 12, p. 3070
Self-avoiding conformational sampling (SACS) is proposed as an enhanced conformational sampling method for proteins. In SACS, the following conformational... 
Proteins | Histograms | Molecules | Restarting | Computer simulation | Maltodextrin | Molecular dynamics | Trajectories | Sampling | Resampling
Journal Article
Chemistry Letters, ISSN 0366-7022, 01/2018, Volume 47, Issue 9, p. 1119
Parallel cascade selection molecular dynamics (PaCS-MD) is a conformational sampling method for generating transition paths from a given reactant to a product.... 
Coefficient of friction | Parameters | Friction | Computer simulation | Molecular dynamics | Sampling
Journal Article
Chemistry Letters, ISSN 0366-7022, 01/2017, Volume 46, Issue 6, p. 862
The Parallel Cascade Selection Molecular Dynamics (PaCS-MD) is an enhanced conformational sampling to promote structural transitions from a given reactant. We... 
Efficiency | Molecular dynamics | Sampling
Journal Article
Advances in Quantum Chemistry, ISSN 0065-3276, 01/2019, Volume 78, pp. 129 - 147
Biological functions are closely related to structural transitions of proteins, and thus it is necessary to clarify the correlation between their dynamical... 
Free energy analysis | Molecular dynamics | Conformational sampling | Transition pathway sampling
Journal Article
JOURNAL OF CHEMICAL INFORMATION AND MODELING, ISSN 1549-9596, 09/2019, Volume 59, Issue 9, pp. 3919 - 3926
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 12/2017, Volume 38, Issue 31, pp. 2671 - 2674
Parallel cascade selection molecular dynamics (PaCS‐MD) is an enhanced conformational sampling method for searching structural transition pathways from a given... 
conformational sampling | protein folding | molecular dynamics simulation | PEPTIDES | CHEMISTRY, MULTIDISCIPLINARY | REPLICA-PERMUTATION METHOD | Thermodynamics | Protein Conformation | Temperature | Proteins - chemistry | Molecular Dynamics Simulation | Protein Folding | Molecular dynamics
Journal Article
Physical Chemistry Chemical Physics : PCCP, ISSN 1463-9076, 01/2018, Volume 20, Issue 26, pp. 17790 - 17798
Parallel cascade selection molecular dynamics (PaCS-MD) is a conformational sampling method for generating transition pathways between a given reactant and a... 
Proteins | Dynamic tests | Pathways | Simulation | Lysine | Molecular dynamics | Resampling | Small angle X ray scattering | Molecular chains | Crystal structure
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 01/2019, Volume 15, Issue 1, pp. 680 - 687
A protocol for calculating free energy landscapes (FELs) is proposed based on a combination of two cascade-type molecular dynamics (MD) methods, parallel... 
MONTE-CARLO | PROTEIN | LANDSCAPE | MINIPROTEIN | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | TRP-CAGE | EXTENSION | SIMULATIONS | REVEALS | Protein Conformation | Markov Chains | Hydrogen Bonding | Peptides - chemistry | Molecular Dynamics Simulation | Protein Folding | Molecular dynamics | Markov chains | Flooding | Subspaces | Free energy
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 08/2017, Volume 38, Issue 22, pp. 1921 - 1929
Structural dissimilarity sampling (SDS) has been proposed as an enhanced conformational sampling method for reproducing the structural transitions of a given... 
conformational sampling | molecular dynamics | biologically relevant rare events | MOLECULAR-DYNAMICS | LIGAND-BINDING | CHEMISTRY, MULTIDISCIPLINARY | MONTE-CARLO | TRANSPORT | MALTOSE-BINDING PROTEIN | FREE-ENERGY LANDSCAPES | REPLICA-EXCHANGE METHOD | SYSTEMS | CONFORMATIONAL TRANSITIONS | SIMULATIONS | Molecular dynamics | Rankings | Dextrins | Protein binding
Journal Article
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, ISSN 1549-9618, 09/2019, Volume 15, Issue 9, pp. 5144 - 5153
Nontargeted parallel cascade selection molecular dynamics (nt-PaCS-MD) is an enhanced conformational sampling method of proteins, which does not rely on... 
MONTE-CARLO | EXCHANGE APPROACH | REPLICA-PERMUTATION METHOD | ALGORITHM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | VERSION | CHEMISTRY, PHYSICAL | SYSTEMS | SIMULATIONS | STRUCTURAL TRANSITIONS | MARKOV STATE MODELS | Proteins | Data analysis | Outliers (statistics) | Molecular dynamics | Markov chains | Trajectories | Resampling | Lysozyme | Free energy
Journal Article
Bulletin of the Chemical Society of Japan, ISSN 0009-2673, 11/2017, Volume 90, Issue 11, pp. 1236 - 1243
Parallel Cascade Selection Molecular Dynamics (PaCS-MD) is an enhanced conformational sampling method for generating structural transition pathways between a... 
MONTE-CARLO | SIMULATIONS | PROTEINS | CHEMISTRY, MULTIDISCIPLINARY | BACKBONE PARAMETERS | WATER | Restarting | Algorithms | Nuclear magnetic resonance--NMR | Pathways | Computer simulation | Molecular dynamics | Resampling | Free energy
Journal Article
Chemistry Letters, ISSN 0366-7022, 01/2019, Volume 48, Issue 4, p. 325
The possible configurations of apo-form medaka fish taste receptor type 1, which is a heterodimer consisting of two types of monomers, were studied by a 1-µs... 
Simulation | Metastable state | Molecular dynamics | Taste | Configurations | Monomers
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 04/2017, Volume 38, Issue 11, pp. 790 - 797
The folding processes of mini‐proteins (FSD‐EY/FBPWW28 domain) were computationally investigated by an enhanced conformational sampling method. Through the... 
protein folding | folding pathway | molecular dynamics simulation | enhanced conformational sampling | PATHWAYS | MOLECULAR-DYNAMICS | DIFFUSION-COLLISION MODEL | TRANSITION-STATE | SIMULATION | CHEMISTRY, MULTIDISCIPLINARY | MONTE-CARLO | WW DOMAIN | BETA-SHEET | CONTACT ORDER | FORCE-FIELD | Proteins | Molecular dynamics | Protein folding | Analysis
Journal Article
No results were found for your search.

Cannot display more than 1000 results, please narrow the terms of your search.