We present a coarse-grained simulation model that is capable of simulating the minute-timescale dynamics of protein translocation and membrane integration via the Sec translocon, while retaining sufficient chemical and structural detail ... MJM Niesen,CY Wang,LRC Van,... - 《Plos Computational Bi...
Structural Biology 2018: Computer simulation of multiple neurotransmission in the human gastric antrum - Saleh Rowaili - BahrainSaleh RowailiInternational Journal of Medical Research & Health Sciences
(MD) simulation of the ligand-free 3CL Mpro. As shown in Supplementary Fig.3, in our MD simulation the same regions, including the P2 helix (residues 45–50), the P5 loop (residues 190–194), and the C-terminal tail are the most dynamic, showing the largest root-mean square ...
(4)). Thus, the power-law exponent of the loss modulus will be larger than that of the storage modulus at high frequencies, as in experiments5,8 and our simulation results (Fig. 1b). Using this self-similar hierarchical model, we have analyzed experimental data on the complex modulus ...
Rich structural biology information can be acquired from native MS experiments in terms of protein complex stoichiometry [27,28], protein–protein interaction interfaces [29] and protein–lipid interactions [30]. Therefore, MS could be an alternative strategy to study the structural characteristics of...
News from the Editorial Board of Current Opinion in Structural Biology View all news More opportunities to publish your research: Browse open Calls for Papers Special issues and article collections Theory and Simulation/Computational Methods (2024): Biomolecular simulation in the Exascale Era and beyond...
Pathogenic single nucleotide polymorphisms in RhoA gene: Insights into structural and functional impacts on RhoA-PLD1 interaction through molecular dynamics simulation Mahbub Hasan, ... Tanvir Hossain 2024View PDF Research articleOpen access Conformational analysis of the IQSEC2 protein by statistical thermo...
摘要: Background Structural variations (SVs) are wide-spread in human genomes and may have important implications in disease-related and evolutionary studies. High-throughput sequencing (HTS) has become a...关键词: Copy number variation, Translocation, Breakpoints, Next-generation sequencing ...
(MBG) approach, to infer the structure of a protein complex from the database of complexes of homologous proteins taken from other contexts (such as the helix-turn-helix motif binding double stranded DNA), and demonstrate its utility on one of the more important regulatory complexes in biology...
For the simulation, we used XMDYN, a molecular-dynamics-based and Monte-Carlo-based code for modeling X-ray driven dynamics in complex systems30,31,32. It is coupled on-the-fly to the atomic structure calculation tool, XATOM30,51,52. This many-body and fully non-equilibrium model takes...