[PDF] Top 20 Conformational changes in acetylcholine binding protein investigated by temperature accelerated molecular dynamics.
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Conformational changes in acetylcholine binding protein investigated by temperature accelerated molecular dynamics.
... the conformational transition. Nanosecond time scale Molecular Dynamics (MD) simulations have been performed on homology models of nAChRs ...performed by using an elastic-network ... See full document
16
Mapping the structural and dynamical features of kinesin motor domains.
... transport by coupling ATP hydrolysis to conformational changes that mediate directed movement along ...and accelerated molecular dynamics simulations that together map the ... See full document
13
Structural analysis of prolyl oligopeptidases using molecular docking and dynamics: insights into conformational changes and ligand binding.
... like conformational dynamics of the protein and interplay between ligand ...used molecular modeling and docking based approaches to unravel questions like differences in ligand ... See full document
17
Insight into the intermolecular recognition mechanism between Keap1 and IKKβ combining homology modelling, protein-protein docking, molecular dynamics simulations and virtual alanine mutation.
... recognized by Keap1 through similar but not identical mechanism, indicating the competitive binding of IKKβ and ...Nrf2. In basal conditions, overexpression of IKKβ may result in the ... See full document
13
Operating mechanism and molecular dynamics of pheromone-binding protein ASP1 as influenced by pH.
... Asp35 in response to mutation and pH ...complete dynamics pathways on how OBP protein binds and unbinds its odorants, particularly at different conditions of ...few molecular modellings ... See full document
9
Decipher the mechanisms of protein conformational changes induced by nucleotide binding through free-energy landscape analysis: ATP binding to Hsp70.
... the conformational sampling and nucleotide-dependent conformations of biomolecular machines ...spontaneous conformational changes at the atomic level [26] and to translate the conformational ... See full document
20
Molecular dynamics simulations suggest ligand's binding to nicotinamidase/pyrazinamidase.
... the binding or unbinding process, the interaction between NAM and the related residues of the proteins possibly leads to some changes of the proteins’ ...proteins in the SMD simulations and ... See full document
12
Model for the peptide-free conformation of class II MHC proteins.
... peptide binding site in the absence of peptide, represents a prominent difference between the structures of class I and class II MHC proteins ...[51]. In class I MHC proteins, the a1 helix continues ... See full document
10
Molecular determinants of epidermal growth factor binding: a molecular dynamics study.
... role in multiple cellular processes. Activation of EGFR requires binding of a ligand on the extracellular domain to promote conformational changes leading to dimerization and ... See full document
12
Insights into the N-Sulfation Mechanism: Molecular Dynamics Simulations of the N-Sulfotransferase Domain of Ndst1 and Mutants
... 1 in mutant NST614A ...represented by this vector may reflect important conformational changes associated with ligand ...whole protein (Fig. 6A). In the ... See full document
12
Braz. J. Phys. vol.36 número3A
... It is well established that electrons on helium surface are an almost ideal two dimensional electron system. They form the cleanest example of a two dimensional electron gas that, at sufficiently low densities and ... See full document
3
The role of the methyltransferase domain of bifunctional restriction enzyme RM.BpuSI in cleavage activity.
... The bpuSIRM gene, which encodes for the full-length RM.BpuSI gene containing the REase and MTase domains and target recognition domain (TRD), was PCR-amplified and cloned into pT7SL (a pTXB1 (NEB) derivative without the ... See full document
12
Alloy by Molecular Dynamics Simulation
... of temperature due to the high undercooling condition of liquid, avoiding the nucleation and growth of ...transition temperature, the material becomes rigid and behaves like a solid, while preserving the ... See full document
9
Ebola virus glycoprotein needs an additional trigger, beyond proteolytic priming for membrane fusion.
... for binding to an endosomal ...of protein and carbohydrate) could facilitate membrane fusion by reducing steric barriers to GP2 rearrangement and membrane ...loop in place on the outside of ... See full document
6
Effects of NMR spectral resolution on protein structure calculation.
... of protein structures of all molecular sizes (Figure ...obtained in RMSD values for protein structures of molecular sizes from 20 to 35 ...larger molecular sizes, and lower ... See full document
10
pH-dependent conformational changes in the HCV NS3 protein modulate its ATPase and helicase activities.
... DNA binding was also evaluated. Although no known DNA stage in the replication cycle of HCV has been observed, NS3hel unwinds DNA better than RNA ...used in previous works to characterize the ... See full document
24
Conformational dynamics and antigenicity in the disordered malaria antigen merozoite surface protein 2.
... studies in mice and in humans, strongly suggests that these profiles are deter- mined by the intrinsic immunogenicity of the recombinant MSP2 ...between conformational restriction and ... See full document
18
Determining host metabolic limitations on viral replication via integrated modeling and experimental perturbation.
... Flux dynamics are displayed for a subset of the metabolic network ...indicated by the colored arrowhead, negative flux direction is depicted with light grey ...appear in black, and clusters with ... See full document
12
Molecular Dynamics Simulation Studies of dTTP Binding and Catalysis Mediated by YhdE Dimerization.
... (loop-4) in YhdE with open/closed confor- mations, the average structures from the equilibrated simulations of the apo open state and closed state of YhdE are shown in Fig ...loop-4 in both states ... See full document
22
Conformational response to solvent interaction and temperature of a protein (Histone h3.1) by a multi-grained monte carlo simulation.
... and dynamics of unsolvated histones, which are core components of the nucleosome in eukaryotic ...cells. In coordination with a number of host constituents, histones direct the morphology of DNA ... See full document
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