Cargando…
EspcTM: Kinetic Transition Network Based on Trajectory Mapping in Effective Energy Rescaling Space
The transition network provides a key to reveal the thermodynamic and kinetic properties of biomolecular systems. In this paper, we introduce a new method, named effective energy rescaling space trajectory mapping (EspcTM), to detect metastable states and construct transition networks based on the s...
Autores principales: | Wang, Zhenyu, Zhou, Xin, Zuo, Guanghong |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Frontiers Media S.A.
2020
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7653181/ https://www.ncbi.nlm.nih.gov/pubmed/33195438 http://dx.doi.org/10.3389/fmolb.2020.589718 |
Ejemplares similares
-
Mapping CAR T-Cell Design Space Using Agent-Based Models
por: Prybutok, Alexis N., et al.
Publicado: (2022) -
Role of TM3 in claudin-15 strand flexibility: A molecular dynamics study
por: Fuladi, Shadi, et al.
Publicado: (2022) -
On Calculating Free Energy Differences Using Ensembles of Transition Paths
por: Hall, Robert, et al.
Publicado: (2020) -
Exploring the Conformational Impact of Glycine Receptor TM1-2 Mutations Through Coarse-Grained Analysis and Atomistic Simulations
por: Mhashal, Anil Ranu, et al.
Publicado: (2022) -
Using Dimensionality Reduction to Analyze Protein Trajectories
por: Tribello, Gareth A., et al.
Publicado: (2019)