Results 211 to 220 of about 336,307 (265)
Reprocessable carbon fiber composites <i>via</i> disulfide-exchange epoxy vitrimers: experimental and molecular simulation insights. [PDF]
RSC AdvSharma H +6 more
europepmc +1 more source
Morphological Changes in PEDOT:PSS under Electrolytes, Dopamine, and PEG-400 Exposure: A Molecular Simulation Perspective. [PDF]
MacromoleculesG Guruge A, Makki H, Troisi A.
europepmc +1 more source
Adsorption Characteristics and Micromechanical Properties of CH<sub>4</sub>‑Containing Coal under the Coupling Effect of Temperature and Pressure: A Molecular Simulation Study. [PDF]
ACS OmegaWang M, Yin L, Yan W.
europepmc +1 more source
Machine Learning for Molecular Simulation [PDF]
Annual Review of Physical Chemistry, 2020 Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for an ML revolution and have already been profoundly affected by the application of existing ML methods.
Cecilia Clementi +2 more
exaly +6 more sources
Some of the next articles are maybe not open access.
Related searches:
Related searches:
Molecular Dynamics Simulations
Current Opinion in Structural Biology, 2002Molecular dynamics simulations have become a standard tool for the investigation of biomolecules. Simulations are performed of ever bigger systems using more realistic boundary conditions and better sampling due to longer sampling times. Recently, realistic simulations of systems as complex as transmembrane channels have become feasible.
Daan Frenkel, Berend Smit
openaire +4 more sources
Molecular Simulations On Supercomputers
The International Journal of Supercomputing Applications, 1991Work from our laboratory using molecular dynamics applied to the study of peptide/protein folding dynam ics and thermodynamics in aqueous solution, and the exploration and development of molecular solvent in teraction models including electronic polarizability is described.
Charles L. Brooks III +2 more
openaire +2 more sources
Molecular Simulations of Rhodopsin Tetrameter
Protein & Peptide Letters, 2007Di/oligomerization of G-protein coupled receptors (GPCRs) is well established, however very little is known regarding the interaction details. Current paper presents results of molecular dynamics simulations of theoretical model of rhodopsin tetramer with transducine (Gt) in lipid bilayer.
Magdalena Witt +2 more
openaire +2 more sources
Modeling and Simulation in Molecular Pharmacology
1998A stochastic simulation program of drug-receptor interaction is presented. The user can select a set of conditions concerning the processes of response release (type of cellular response, drug distribution and metabolism etc.) and the program plots a family of dose-response curves.
George I. Mihalas +3 more
openaire +2 more sources