Results 261 to 270 of about 6,542,741 (296)
Some of the next articles are maybe not open access.
Separation and Purification Technology, 2019
Experimental method and molecular dynamics (MD) simulations were used to investigate the filtration dewatering process of brown coal in the presence of the surfactant TRITON X-100 (TX-100).
Xiaofang You +6 more
semanticscholar +1 more source
Experimental method and molecular dynamics (MD) simulations were used to investigate the filtration dewatering process of brown coal in the presence of the surfactant TRITON X-100 (TX-100).
Xiaofang You +6 more
semanticscholar +1 more source
Molecular Pharmaceutics, 2019
Praziquantel (PZQ) is one of the most widespread anthelmintic drugs. However, the frequent insufficient application of PZQ after oral administration is associated with its low solubility, penetration rate, and bioavailability.
A. V. Kim +7 more
semanticscholar +1 more source
Praziquantel (PZQ) is one of the most widespread anthelmintic drugs. However, the frequent insufficient application of PZQ after oral administration is associated with its low solubility, penetration rate, and bioavailability.
A. V. Kim +7 more
semanticscholar +1 more source
Effect of zero-valent iron/starch nanoparticle on nitrate removal using MD simulation.
International Journal of Biological Macromolecules, 2019In this study, the efficacy of zero-valent iron nanostructure modified by starch for removal of nitrate was investigated. Effect of zero-valent iron/starch nanoparticle in the presence of Thiobacillus dinitrificans for removal of nitrate was simulated ...
S. R. Mofradnia +6 more
semanticscholar +1 more source
MD Simulation of a Phospholipid Bilayer
2000We report first results of a molecular dynamics simulation of a fully hydrated dipalmitoyl-sn-glycero-phosphatidylcholin (DPPC) bilayer using the NγT-ensemble. Because of the large size of the simulated system, a parallel version of the simulation package MOSCITO [1] has been developed, which employs a dynamic loadbalancing algorithm to ensure uniform ...
Ralf Schmelter, Alfons Geiger
openaire +1 more source
MD Simulations of Nanomachining Monocrystalline Silicon
Key Engineering Materials, 2015Molecular dynamics (MD) simulations of nanomachining of monocrystalline silicon were performed with the aid of Tersoff potential. The effects of machining conditions on the nature of heat distribution and corresponding phase transformation during nanomachining were investigated.
openaire +1 more source
Electroporation of archaeal lipid membranes using MD simulations
Bioelectrochemistry, 2014Molecular dynamics (MD) simulations were used to investigate the electroporation of archaeal lipid bilayers when subjected to high transmembrane voltages induced by a charge imbalance, mimicking therefore millisecond electric pulse experiments. The structural characteristics of the bilayer, a 9:91 mol% 2,3-di-O-sesterterpanyl-sn-glicerol-1-phospho-myo ...
Andraž, Polak +7 more
openaire +2 more sources
ReaxFF MD Simulations of Peptide-Grafted Gold Nanoparticles
Langmuir, 2019Functionalized gold nanoparticles have critical applications in biodetection with surface-enhanced Raman spectrum and drug delivery. In this study, reactive force field molecular dynamics simulations were performed to study gold nanoparticles, which are modified with different short-chain peptides consisting of amino acid residues of cysteine and ...
Mohammadreza Samieegohar +3 more
openaire +2 more sources
Web-based MD Simulations using MoSGrid
2014CELLmicrocosmos neXt Workshop in context of the "German Conference on Bioinformatics" : Proceedings, CELLmicrocosmos neXt Workshop in context of the "German Conference on Bioinformatics", Bielefeld, 28.09 ...
openaire +1 more source
Initial Model Generation Using MD for Inverse Renormalized MD Simulation
The proceedings of the JSME annual meeting, 2004Masatoshi YAMADA +3 more
openaire +1 more source