MDsimulation相关论文
The Effect of Incident Energy and Content of Si on Properties in Si-DLC Films:A Molecular Dynamics S
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Molecular dynamics simulation of deformation process under three-point bending test in magnesium sin
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Theoretical studies of spectra and electronic-vibrational coupling of molecular aggregates in photos
Photosynthesis is by far the most important process in transforming energy from solar radiation into chemical energy for......
The thiazolidinedione class PPARγ agonists as antidiabetic agents are restricted in clinical use because of the side ef......
Thrombin-binding DNA aptamer(TBA)can fold into an G-quadruplex structure necessary for interacting with thrombin.It is r......
Exploration of the Mechanism for Isoliquiritigenin Derivatives Inhibiting Aβ(1-42)Self-aggregation A
A series of new isoliquiritigenin(ISL)derivatives were synthesized and evaluated as inhibitors for amyloid-beta(Aβ)aggr......
Mechanism of C1 Domains to Capture Diacylglycerols as Revealed by Multiscale Molecular Dynamics Simu
Diacylglycerol(DAG)represents one of the central second messengers in the cell that regulates signals crucial to the con......
Crystallography-guided discovery of carbazole-based retinoic acid-related orphan receptor gamma-t (R
A series of 6-substituted carbazole-based retinoic acid-related orphan receptor gamma-t (RORγt) modulators were discove......
Multi-scaled Theoretical Investigation on Dipeptides-TPPS Co-assembly in Aqueous Solvent for a Molec
Spontaneity of hierarchical self-assembly has brought about not only ingenuity into the preparation of complex micro......
Mechanism of C1 domains to capture diacylglycerols as revealed by multiscale molecular dynamics simu
Diacylglycerol(DAG)represents one of the central second messengers in the cell that regulates signals crucial to the......
The coalescence behavior of nanoscale xenon (Xe) bubbles in U-Mo alloy matrix is investigated by the classical molec......
Induced Fit or Conformation Selection for Specific Recognition between RNADNA Hybrid and RNA Polymer
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Protein may have different conformations,and its function is highly correlated with its conformational change....
Although progress has been made in identifying potential lipid-binding sites in proteins,little is known about the d......
Two tetrazole compounds (BTA,BTTA) self-assembled on copper substrate and their inhibition effect toward copper corrosio......
