Results 51 to 60 of about 24,682,132 (307)
Reconstructing enzyme evolution by protein engineering
FEBS Letters, EarlyView.Natural enzyme evolution can be retraced by protein engineering methods such as directed evolution, rational design, and ancestral sequence reconstruction. These approaches reveal how enzymes emerged from ligand‐binding scaffolds, developed varying substrate preferences, formed oligomeric complexes, adapted to environmental changes, and evolved novel ...
Lukas Drexler +2 more
wiley +1 more source
FEBS Open Bio, EarlyView.Evolutionary analysis across 32 placental mammals identified positive selection at residues H148 and W149 in the immune receptor FcγR1. Ancestral reconstruction combined with molecular dynamics simulations reveals how these mutations may influence receptor structure and dynamics, providing insight into the evolution of antibody recognition and immune ...
David A. Young +7 more
wiley +1 more source
Thermodynamics of the planar Hubbard model [PDF]
Physical Review B, 2003 The thermodynamic properties: specific heat and entropy are studied as a function of temperature and doping within the two-dimensional Hubbard model with various U/t=4-12. Quantities are calculated using the finite-temperature Lanczos method with additional phase-averaging for a system of 4×4 sites.
Bonca, J., Prelovsek, P.
openaire +2 more sources
Cement and Concrete Research, 2019 Thermodynamic modelling can reliably predict hydrated cement phase assemblages and chemical compositions, including their interactions with prevailing service environments, provided an accurate and complete thermodynamic database is used.
B. Lothenbach +7 more
semanticscholar +1 more source
pycalphad: CALPHAD-based Computational Thermodynamics in Python
Journal of Open Research Software, 2017 The pycalphad software package is a free and open-source Python library for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria using the CALPHAD method.
Richard Otis, Zi-Kui Liu
doaj +1 more source
Directed evolution of enzymes at the crossroads of tradition and innovation
FEBS Open Bio, EarlyView.An iterative cycle of data‐driven enzyme optimization comprising four stages: genetic diversification of a template enzyme, expression of protein variants, high‐throughput evaluation, and machine‐learning‐guided redesign of the next variant library.
Maria Tomkova +2 more
wiley +1 more source
Molecular characterization of covRS mutations in M1UK Streptococcus pyogenes
FEBS Open Bio, EarlyView.Group A Streptococcus (GAS) acquires covRS mutations driving a hypervirulent bacterial state, frequently associated with invasive disease‐like necrotizing fasciitis. We demonstrate that the newly emerged M1UK GAS lineage can also acquire these mutations.
Jarrad Pritchard +12 more
wiley +1 more source
A model for the thermodynamics of globular proteins [PDF]
Physica A: Statistical Mechanics and its Applications, 1999 Comments: 6 pages RevTeX, 6 Postscript figures. We review a statistical mechanics treatment of the stability of globular proteins based on a simple model Hamiltonian taking into account protein self interactions and protein-water interactions. The model contains both hot and cold folding transitions.
Hansen, A. +3 more
openaire +2 more sources
Nonequilibrium Thermodynamics of the Majority Vote Model
Entropy, 2023 The majority vote model is one of the simplest opinion systems yielding distinct phase transitions and has garnered significant interest in recent years. This model, as well as many other stochastic lattice models, are formulated in terms of stochastic rules with no connection to thermodynamics, precluding the achievement of quantities such as power ...
Felipe Hawthorne +3 more
openaire +5 more sources
Advanced Engineering Materials, Volume 27, Issue 6, March 2025.ErB4 and NdB4 nanostructured powders are produced by mechanochemical synthesis. 5 h mechanical alloying and 4 M HCl acid leaching are used in the production. ErB4 and NdB4 powders exhibit maximum magnetization of 0.4726 emu g−1 accompanied with an antiferromagnetic‐to‐paramagnetic phase transition at about TN = 18 K and 0.132 emu g−1 with a maximum at ...
Burçak Boztemur +5 more
wiley +1 more source