Results 71 to 80 of about 4,289,395 (298)
Machine learning for potential energy surfaces: An extensive database and assessment of methods [PDF]
The Journal of Chemical Physics, 2019 On the basis of a new extensive database constructed for the purpose, we assess various Machine Learning (ML) algorithms to predict energies in the framework of potential energy surface (PES) construction and discuss black box character, robustness, and efficiency.
Gunnar Schmitz +2 more
openaire +3 more sources
FEBS Letters, EarlyView.We reconstituted Synechocystis glycogen synthesis in vitro from purified enzymes and showed that two GlgA isoenzymes produce glycogen with different architectures: GlgA1 yields denser, highly branched glycogen, whereas GlgA2 synthesizes longer, less‐branched chains.
Kenric Lee +3 more
wiley +1 more source
Self-learning Multiscale Simulation for Achieving High Accuracy and High Efficiency Simultaneously
, 2009 We propose a new multi-scale molecular dynamics simulation method which can achieve high accuracy and high sampling efficiency simultaneously without aforehand knowledge of the coarse grained (CG) potential and test it for a biomolecular system. Based on
Case D. A., Shoji Takada, Wenfei Li
core +1 more source
, 2012 Abstract This chapter discusses the principles of stationary (minimum) potential energy and stationary complementary potential energy. The principles are introduced via example and then carefully explained to be alternate representations of the notions of equilibrium and kinematic compatibility.
openaire +1 more source
Structural biology of ferritin nanocages
FEBS Letters, EarlyView.Ferritin is a conserved iron‐storage protein that sequesters iron as a ferric mineral core within a nanocage, protecting cells from oxidative damage and maintaining iron homeostasis. This review discusses ferritin biology, structure, and function, and highlights recent cryo‐EM studies revealing mechanisms of ferritinophagy, cellular iron uptake, and ...
Eloise Mastrangelo, Flavio Di Pisa
wiley +1 more source
Study of eigen function and eigen values for energy by muller s method and COGI method by use Causs potential [PDF]
مجلة جامعة الانبار للعلوم الصرفة, 2012 This study concern here on we shall compare the Eigenvalues and eigenfunction calculated numerically with those obtained by the asymptotic series (Muller,s method) and COGI method where large and moderately large values of angular momentum L and coupling
Abdul Adeem Z. Hameed
doaj +1 more source
FEBS Letters, EarlyView.We identified a systemic, progressive loss of protein S‐glutathionylation—detected by nonreducing western blotting—alongside dysregulation of glutathione‐cycle enzymes in both neuronal and peripheral tissues of Taiwanese SMA mice. These alterations were partially rescued by SMN antisense oligonucleotide therapy, revealing persistent redox imbalance as ...
Sofia Vrettou, Brunhilde Wirth
wiley +1 more source
N=1* model and glueball superpotential from Renormalization-Group-improved perturbation theory
, 2004 A method for computing the low-energy non-perturbative properties of SUSY GFT, starting from the microscopic lagrangian model, is presented. The method relies on covariant SUSY Feynman graph techniques, adapted to low energy, and Renormalization-Group ...
A. Liccardo +24 more
core +1 more source
FEBS Letters, EarlyView.In this study, we found that human cervical‐derived adipocytes maintain intracellular iron level by regulating the expression of iron transport‐related proteins during adrenergic stimulation. Melanotransferrin is predicted to interact with transferrin receptor 1 based on in silico analysis.
Rahaf Alrifai +9 more
wiley +1 more source
Energy landscape of a Lennard-Jones liquid: Statistics of stationary points
, 2000 Molecular dynamics simulations are used to generate an ensemble of saddles of the potential energy of a Lennard-Jones liquid. Classifying all extrema by their potential energy u and number of unstable directions k, a well defined relation k(u) is ...
A. Cavagna +26 more
core +1 more source