نتایج جستجو برای: molecular dynamics flexible fitting mdff
تعداد نتایج: 1162615 فیلتر نتایج به سال:
YiiP is a dimeric Zn(2+)/H(+) antiporter from Escherichia coli belonging to the cation diffusion facilitator family. We used cryoelectron microscopy to determine a 13-Å resolution structure of a YiiP homolog from Shewanella oneidensis within a lipid bilayer in the absence of Zn(2+). Starting from the X-ray structure in the presence of Zn(2+), we used molecular dynamics flexible fitting to build...
Article history: Received 28 May 2010 Received in revised form 19 August 2010 Accepted 25 August 2010
Nascent-peptide modulation of translation is a common regulatory mechanism of gene expression. In this mechanism, while the nascent peptide is still in the exit tunnel of the ribosome, it induces translational pausing, thereby controlling the expression of downstream genes. One example is SecM, which inhibits peptide-bond formation in the ribosome's peptidyl transferase center (PTC) during its ...
We recently adapted the Auxiliary DFT framework as implemented in deMon2k to simulation of time-dependent problems via Runge and Gross equations. Our implementation so-called Real-Time-Time-Dependent ADFT (RT-TD-ADFT) fully benefits from algorithms available carry out variational density fitting, notably MINRES algorithm proposed for self-consistent-field calculations. test here first time cont...
This paper presents a novel robust fractional PIλ controller design for flexible joint electrically driven robots. Because of using voltage control strategy, the proposed approach is free of problems arising from torque control strategy in the design and implementation. In fact, the motor's current includes the effects of nonlinearities and coupling in the robot manipulator. Therefore, cancella...
Joint flexibility is a very important factor to consider in the controller design for robot manipulators if high performance is expected. Most of the research works on control of flexible-joint robots in literature have ignored the actuator dynamics to avoid complexity in controller design. The problem of designing nonlinear controller for a class of single-link flexible-joint robot manipulator...
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