Results 21 to 30 of about 57,558 (260)
Adsorption and Diffusion of Cisplatin Molecules in Nanoporous Materials: A Molecular Dynamics Study
Biomolecules, 2019 Using molecular dynamics simulations, the adsorption and diffusion of cisplatin drug molecules in nanopores is investigated for several inorganic materials.
Marjan A. Nejad, Herbert M. Urbassek
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Fluctuations of the retarded van der Waals force [PDF]
Physical Review A, 2002 14 pages, no ...
Wu, Chun-Hsien +2 more
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Structural insights into an engineered feruloyl esterase with improved MHET degrading properties
FEBS Letters, EarlyView.A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa +5 more
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Contemporary Physics, 1970 Summary Van der Waals forces are among the forces that attract atoms and molecules together. Their importance follows from two unique properties. Firstly, they are universal. All atoms and molecules attract one another through this mechanism, so they account for phenomena, such as the cohesion of the inert gases in the solid and liquid states, and ...
Ninham, B.W., Parsegian, V.A.
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The Influence of Hydroxyl Groups on Friction of Graphene at Atomic Scale
Crystals, 2018 Hydroxyl groups play an important role in friction of graphene oxides. In this paper, the influence of hydroxyl groups on friction of graphene is investigated by molecular dynamics simulation. The results show that the friction does not always go up with
Rui Li, Chenggang Song
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Construction of a Universal Gel Model with Volume Phase Transition
Gels, 2020 The physical principle underlying the familiar condensation transition from vapor to liquid is the competition between the energetic tendency to condense owing to attractive forces among molecules of the fluid and the entropic tendency to disperse toward
Gerald S. Manning
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Modulation of Homer1 EVH1 domain internal dynamics by putative autism‐associated mutations
FEBS Letters, EarlyView.The putative autism‐associated M65I and S97L variants of the EVH1 domain of the postsynaptic scaffold protein Homer1 do not exhibit substantial changes in their overall structure or partner binding. Both of them, but especially the M65I variant, show altered internal dynamics relative to the wild‐type domain on the μs‐ms timescale, indicated by the ...
Fanni Farkas +6 more
wiley +1 more source
4-Bromo-2-[1-(4-ethoxyphenyl)-1-methylethyl]-1-methylbenzene
Acta Crystallographica Section E, 2011 In title compound, C18H21BrO, the dihedral angle between two rings is 85.72°. No classical hydrogen bonds are found and only van der Waals forces stabilize the crystal packing.
Jia-Ning Wang +4 more
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Lubricants, 2020 A metallic particle passing through concentrated rolling-sliding contacts is often linked to surface damage for particles larger than the available gap. At the instant of particle pinching, force balancing dictates particle entrapment and passing through
George K. Nikas
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FEBS Open Bio, EarlyView.Evolutionary analysis across 32 placental mammals identified positive selection at residues H148 and W149 in the immune receptor FcγR1. Ancestral reconstruction combined with molecular dynamics simulations reveals how these mutations may influence receptor structure and dynamics, providing insight into the evolution of antibody recognition and immune ...
David A. Young +7 more
wiley +1 more source