Results 111 to 120 of about 176,064 (165)

Review of Molecular Dynamics Simulation of Bimetallic Interfacial Behavior. [PDF]

Materials (Basel)
Wang X, Wang Y, Li G, Jiang W, Wang J, Kang X, Zeng Q, Yao S, Yao P.   +8 more
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Molecular Dynamics Simulations

Current Opinion in Structural Biology, 2002
Molecular 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
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Molecular dynamics simulation and steered molecular dynamics simulation on irisin dimers

Journal of Molecular Modeling, 2018
Irisin is found closely associated with promoting the browning of beige fat cells in white adipose tissue. The crystal structure reveals that irisin forms a continuous inter-subunit β-sheet dimer. Here, molecular dynamics (MD) simulation and steered molecular dynamics (SMD) simulation were performed to investigate the dissociation process and the ...
Qi, Gao, Chao, Lu, Xiao-Wen, Wang, Jun-Wei, Zhang, Youtao, Song, You-Lin, Xue   +5 more
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Molecular Dynamics Simulation of Colchicinoids

Journal of Biomolecular Structure and Dynamics, 1998
Colchicine, a tricyclic alkaloid, has a remarkable range of biological activities. It binds with tubulin and prevents the formation of microtubules. This compound consists of a six membered aromatic ring (A ring), a seven membered troponoid ring (C ring) and another seven membered aliphatic ring (B ring).
A K, Bothra, S, Roy, B, Bhattacharyya, C, Mukhopadhyay   +3 more
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Molecular Dynamics simulation of the microregion

International Journal of Thermal Sciences, 2012
As evaporation occurs in microchannels, most heat transfer takes place in the region where the evaporation meniscus is in contact with the channel wall. This microregion has been studied before, using continuum methods. Experimental results have shown the existence of this microregion but its internal structure can not be verified experimentally ...
Akker, van den, E.A.T., Frijns, A.J.H., Kunkelmann, C., Hilbers, P.A.J., Stephan, P., Steenhoven, van, A.A.   +5 more
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Molecular dynamics simulation and visualization

1999 IEEE International Conference on Information Visualization (Cat. No. PR00210), 2003
We have developed atomic-scale material models capable of simulating melting, crystallization and amorphization. These models feature molecular dynamics governed by Langevin equations of motion in which particles interact through attractive covalent forces and short-range repulsion forces.
Roman Durikovic, Teruaki Motooka
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Molecular dynamics simulations of xDNA

Biopolymers, 2009
AbstractxDNA is a modified DNA, which contains natural as well as expanded bases. Expanded bases are generated by the addition of a benzene spacer to the natural bases. A set of AMBER force‐field parameters were derived for the expanded bases and the structural dynamics of the xDNA decamer (xT5′ G xT A xC xG C xA xG T3′) · (xA5′ C T xG C G xT A xC A3′)
Mathew K, Varghese, Renjith, Thomas, N V, Unnikrishnan, C, Sudarsanakumar   +3 more
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