Toolkit Items

Browse the toolkit beneath workflows. The mechanism branch runs mechanism -> architecture -> component, while the technique branch runs from high-level approaches down to concrete methods.

11 items matching 1 filter

Mechanism Branch

Layer 1

Mechanisms

Top-level concepts: biophysical action modes such as heterodimerization, photocleavage, or RNA binding.

Layer 2

Architectures

Arrangements that realize or deploy mechanisms, including switches, construct patterns, and delivery strategies.

Layer 3

Components

Low-level parts and sequence-defined elements used inside architectures, including protein domains and RNA elements.

Technique Branch

Layer 1

Approaches

High-level engineering practices such as computational design, directed evolution, sequence verification, and functional assay.

Layer 2

Methods

Concrete methods used to design, build, verify, or characterize engineered systems.

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molecular dynamics simulation

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designed decoy peptides targeting CIB1

Construct Pattern

Designed decoy peptides targeting CIB1 are in silico engineered variants of the reference peptide UNC10245092 generated by residue scan methodology to bind CIB1. In the reported computational study, top candidates were prioritized by predicted binding free energy, evaluated by AMBER molecular dynamics simulations, and were predicted to interfere with RAF–CIB1 binding; mutant 2 showed stronger predicted interactions with CIB1 than the reference peptide.

CFBacMamMusHumTxRep
Ev 28Rep 9Pr 71

Molecular Dynamic simulations

Computational Method

Molecular dynamics simulations combined with Markov state modeling were used to characterize blue-light-induced conformational switching in the Avena sativa LOV2 (AsLOV2) domain. This computation method resolved C-terminal Jα-helix unfolding into seven structurally distinguishable steps spanning initiation and post-initiation phases.

CFBacMamMusHumTxRep
Ev 28Rep 9Pr 71

The paper names the engineered pore AtaApore and describes it as an open nanopore derived from the transmembrane β-barrel of the Acinetobacter trimeric autotransporter adhesin AtaA.

CFBacMamMusHumTxRep
Ev 26Rep 9Pr 71

Markov State Modeling

Computational Method

Markov State Modeling (MSM) is a computational method applied with molecular dynamics simulations to resolve conformational dynamics in the AsLOV2 photosensory domain. In the cited 2023 study, MSM was used to explain blue-light-induced stepwise unfolding of the C-terminal Jα-helix and to identify seven structurally distinguishable unfolding states spanning initiation and post-initiation phases.

CFBacMamMusHumTxRep
Ev 28Rep 9Pr 59

transition path sampling

Computational Method

Transition path sampling is a computational method applied to explicit-solvent molecular dynamics trajectories to extract atomistic features of conformational reaction networks. In the cited study, it was used to analyze the millisecond partial unfolding transition in the light-driven photocycle of photoactive yellow protein and to predict reaction coordinate models and tentative transition states.

CFBacMamMusHumTxRep
Ev 28Rep 9Pr 59

photosensitive degron psd3

Protein Domain

psd3 is a variant of the photosensitive degron built around an AsLOV2 photoreceptor module for light-dependent control of protein abundance. Available evidence indicates that its light sensitivity can be tuned by photocycle mutations and that it was developed in a system for optogenetic regulation of transcription-related processes.

CFBacMamMusHumTxRep
Ev 16Rep 9Pr 59

photosensitive transcription factor

Multi-Component Switch

The photosensitive transcription factor (psTF) is an AsLOV2-based optogenetic multi-component switch for light-regulated control of transcription. In the cited work, photocycle mutations in AsLOV2 were used to tune the light sensitivity of psTF photoreceptor components, and distinct AsLOV2 variants showed context-dependent behavior.

CFBacMamMusHumTxRep
Ev 28Rep 9Pr 37
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