نتایج جستجو برای: molecular dynamics flexible fitting mdff
تعداد نتایج: 1162615 فیلتر نتایج به سال:
Recent progress in developing 2D-ELDOR (2D electron-electron double resonance) techniques to better capture molecular dynamics in complex fluids, particularly in model and biological membranes, is reported. The new "full S(c-) method", which corrects the spectral analysis for the phase distortion effects present in the experiments, is demonstrated to enhance the sensitivity of 2D-ELDOR in repor...
this paper presents a robust fractional order controller for flexible-joint electrically driven robots under imperfect transformation of control space. the proposed approach is free from manipulator dynamics, thus free from problems associated with torque control strategy in the design and implementation. as a result, the proposed controller is simple, fast response and superior to the torque c...
In the last decades, blossoming of experimental breakthroughs in domain electron energy loss spectroscopy (EELS) has triggered a variety theoretical developments. Those have to deal with completely different situations, from atomically resolved phonon mapping circular dichroism passing by surface plasmon mapping. All them rely on very physical approximations and not yet been reconciled, despite...
A genetic algorithm (GA) procedure has been developed to fit parameters for multi-species reactive interatomic force field functions. Given an analytic form (of which several are available), fitting parameters to multispecies reactive force fields is extremely tedious and error prone because the parameter space is large and includes complex correlations. As a result, parameters are available fo...
efficiency of enzymes which are used in industrial or environmental applications is highly dependent on their thermal stability. in this study, the stability of dfpase has been evaluated after introducing disulfide bonds to the structure. the results obtained from a series of protein design software were subjected to molecular dynamics simulation at different temperature to test the performance...
Fluorescence fluctuation methods have become invaluable research tools for characterizing the molecular-level physical and chemical properties of complex systems, such as molecular concentrations, dynamics, and the stoichiometry of molecular interactions. However, information recovery via curve fitting analysis of fluctuation data is complicated by limited resolution and challenges associated w...
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