Results 201 to 210 of about 32,216 (243)
Transient formation of supramolecular complexes between hyaluronan and oligopeptides at submicromolar concentration. [PDF]
Commun ChemRiopedre-Fernandez M +5 more
europepmc +1 more source
Impact of Taper Design on Cleaning Efficacy, Stress Generation, and Irrigant Performance: A Combined Experimental, Finite Element Analysis, and Computational Fluid Dynamics Assessment. [PDF]
Dent J (Basel)Maqueda CV +9 more
europepmc +1 more source
HU Searches and Binds Specific DNA via a Multistep Process Combining Weak Electrostatic Binding, Protein Reorientation, and DNA Flexibility. [PDF]
JACS AuChan EW, Leake MC, Noy A.
europepmc +1 more source
The effect of ionic strength on PETase enzymes: An experimental and computational study. [PDF]
Protein SciBerselli A +7 more
europepmc +1 more source
Some of the next articles are maybe not open access.
Related searches:
Related searches:
Journal of Chemical Theory and Computation, 2013
A statistical mechanics description of complex molecular systems involves the determination of ensembles of conformations that represent their Boltzmann distributions. The observable properties of these systems can be then predicted by calculating averages over such ensembles. In principle, given accurate energy functions and efficient sampling methods,
C. Camilloni, A. Cavalli, M. Vendruscolo
openaire +2 more sources
A statistical mechanics description of complex molecular systems involves the determination of ensembles of conformations that represent their Boltzmann distributions. The observable properties of these systems can be then predicted by calculating averages over such ensembles. In principle, given accurate energy functions and efficient sampling methods,
C. Camilloni, A. Cavalli, M. Vendruscolo
openaire +2 more sources
The Journal of Chemical Physics, 2015
A distributed replica dynamics (DRD) method is proposed to calculate rare-event molecular dynamics using distributed computational resources. Similar to Voter’s parallel replica dynamics (PRD) method, the dynamics of independent replicas of the system are calculated on different computational clients.
Liang Zhang +2 more
openaire +2 more sources
A distributed replica dynamics (DRD) method is proposed to calculate rare-event molecular dynamics using distributed computational resources. Similar to Voter’s parallel replica dynamics (PRD) method, the dynamics of independent replicas of the system are calculated on different computational clients.
Liang Zhang +2 more
openaire +2 more sources