क्यूआर कोड

GEODES: Geometric Descriptors for the Assessment of Global and Local Flexibility of Proteins During Molecular Dynamics Simulation

Molecular dynamics simulations offer insights into macromolecular structures and functions through extensive time-series atomic data. Two widely used metrics for assessing these simulations are RMSD and RMSF. While RMSD measures conformational convergence, it suffers from degeneracy, where different...

पूर्ण विवरण

में बचाया:
मुख्य लेखकों: Karina Pats, Igor Glukhov, Stepan Petrosian, Maria Mamaeva, Alexey Sergushichev, Marie-Dominique Devignes, Ferdinand Molnar
स्वरूप: Artigo
भाषा:Inglês
प्रकाशित: IEEE 2025-01-01
श्रृंखला:IEEE Access
विषय:
Calcitriol
GEODES
geometrical descriptors
local and global stability
molecular dynamics trajectory analysis
RMSD and RMSF
ऑनलाइन पहुंच:https://ieeexplore.ieee.org/document/10960344/
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