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Lin and her lab use computational chemistry to provide information on the solution structures of cyclic peptides. [2] They recently successfully used molecular dynamics simulation with enhanced sampling methods to design well-structured cyclic peptides. [12] [13]
α-Amanitin Bacitracin Ciclosporin. Cyclic peptides are polypeptide chains which contain a circular sequence of bonds. [1] This can be through a connection between the amino and carboxyl ends of the peptide, for example in cyclosporin; a connection between the amino end and a side chain, for example in bacitracin; the carboxyl end and a side chain, for example in colistin; or two side chains ...
Chrysosporide is a cyclic pentapeptide. It is isolated from the mycoparasitic fungus Sepedonium chrysospermum, found in New Zealand. [1] References
Using molecular dynamics simulation, the team is able to measure the contact angle of water nanodroplet on the planar networks (caHydrophobicity). On the other hand, previous studies show that the minimum of excess chemical potential of a hard-sphere solute with respect to that in the bulk exhibits a linear dependence on cosine value of contact ...
The design of a molecular dynamics simulation should account for the available computational power. Simulation size (n = number of particles), timestep, and total time duration must be selected so that the calculation can finish within a reasonable time period. However, the simulations should be long enough to be relevant to the time scales of ...
In a comparative study (in 2007), various detection kits had a sensitivity between 69.6% and 77.5% and a specificity between 87.8% and 96.4%. [12] Despite the excellent performance of these immunoassays, for example CCP-assays, they only provide a sensitivity comparable with that of rheumatoid factor (RF).
In electrochemistry, cyclic voltammetry (CV) is a type of voltammetric measurement where the potential of the working electrode is ramped linearly versus time. Unlike in linear sweep voltammetry , after the set potential is reached in a CV experiment, the working electrode 's potential is ramped in the opposite direction to return to the ...
Fast-scan cyclic voltammetry (FSCV) is cyclic voltammetry with a very high scan rate (up to 1 × 10 6 V·s −1). [1] Application of high scan rate allows rapid acquisition of a voltammogram within several milliseconds and ensures high temporal resolution of this electroanalytical technique. An acquisition rate of 10 Hz is routinely employed.