Results 71 to 80 of about 16,264,893 (304)
E_min: A First-Principles Thermochemical Descriptor for Predicting Molecular Synthesizability [PDF]
Predicting the synthesizability of a new molecule remains an unsolved challenge that chemists have long tackled with heuristic approaches. Here, we report a new method for predicting synthesizability using a simple, yet accurate thermochemical descriptor.
Hassan, Harb +6 more
core +1 more source
Structural and biochemical analysis of a B12 superbinder
FEBS Letters, EarlyView.BtuG proteins are vitamin B12 scavengers in Bacteroides thetaiotaomicron, a dominant human gut bacterium. We present crystal structures of three BtuG homologs bound to cobalamin and its precursor cobinamide, revealing picomolar binding affinities, among the highest known for any natural protein.
Jose M. Martinez Felices +3 more
wiley +1 more source
FEBS Letters, EarlyView.How do genomes gain new functional parts? In eukaryotes, which tend to evolve under weak selection, much of the genome is junk. Palazzo and Qiu borrow the logic of Markov chains to show how non‐functional DNA becomes functional through the appearance of intermediate states, which arise due to epistasis, buffering, and biochemical messiness, allowing ...
Alexander F. Palazzo, Yi Qiu
wiley +1 more source
Nuclear radii from first principles
Frontiers in PhysicsWith the combination of nuclear interactions from chiral effective field theory and various many-body techniques, one can perform systematically improvable ab initio calculations.
Takayuki Miyagi
doaj +1 more source
Metals, 2019 Austenitic stainless steels suffer from intergranular corrosion and stress corrosion cracking when exposed to elevated temperature (500⁻800 °C).
Yuchen Dou, Hong Luo, Jing Zhang
doaj +1 more source
Native defects in LiNH(2): A first-principles study
, 2011 Native defects in LiNH(2): A first-principles ...
DuYong +6 more
core
Prospecting the protein design landscape
FEBS Letters, EarlyView.This review outlines the current state of various protein design approaches. We discuss the current possibilities enabled by recently released tools, highlight future avenues to pursue in protein design, and underscore the crucial role of key databases and resources for successful protein design workflows.
Jakob R. Riccabona +4 more
wiley +1 more source
12th Pacific Rim First Year in Higher Education Conference (FYHE 2009)
, 2009 This project builds on the First Year Curriculum Project that was carried out at the Queensland University of Technology (QUT) in 2006-2007 (QUT, 2007). One of the objectives of that project was to develop principles for the Course Development processes ...
Nelson, Karen +5 more
core
Artificial molecular machines and motors—Design and control of nanoscale motion
FEBS Letters, EarlyView.Molecules are constantly moving because of thermal fluctuations, but random motion alone cannot be exploited to perform directional tasks. Artificial molecular machines use chemical, electrical, or light energy to bias this motion. Molecular shuttles, rotary motors, and supramolecular pumps illustrate how nanoscale movement can be controlled and ...
Leonardo Andreoni, Alberto Credi
wiley +1 more source
CrystalsThe third-generation semiconductors have the characteristics of a large bandgap, a high breakdown electric field, a fast electron saturation rate, high-temperature resistance, corrosion resistance, and radiation resistance, making them the preferred core
Hang Zhou +3 more
doaj +1 more source