Results 81 to 90 of about 16,263,301 (302)
Native defects in LiNH(2): A first-principles study
, 2011 Native defects in LiNH(2): A first-principles ...
DuYong +6 more
core
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
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
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
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
First-principles screening of PbI
Materials & DesignLead leakage from degraded perovskite photovoltaics motivates sorbents for neutral PbI 2 , a representative Pb-containing degradation product. First-principles calculations were used to compare graphene-like carbon motifs bearing carboxyl, amine, thiol ...
Manxi Xie +7 more
doaj +1 more source
Variational principles of second, first and intermediate kinds for non-holonomic mechanics
, 1999 The differential variational principles of second kind for non-holonomic mechanics ore given, from which a number of integral variational principles of second kind are set up. From the latter, the general relation of delta q'-delta q and the general form
Zhu, RZ (reprint author), Chinese Acad Sci, Inst Mech, Lab Nonlinear Mech Continuous Media, Beijing 100080, Peoples R China. +1 more
core +1 more source
FEBS Letters, EarlyView.Vacuolar H+‐ATPase (V‐ATPase) is a multisubunit rotary proton pump that acidifies intracellular compartments. Using elastic network models, we identified conserved hinge residues that govern its large‐scale functional motions. We show that intrinsically encoded ‘soft modes’ drive critical functional transitions, including rotary catalysis and ...
Diksha Parwana +3 more
wiley +1 more source
First principles calculations for the elastic and thermodynamic properties of CrN
四川大学学报. 自然科学版, 2016 In this paper, we investigate the structure and elastic properties of cubic phase CrN using the plane wave pseudopotential density functional theory method. The results coincide well with the experimental and theoretical values.
YANG Kun, ZHANG Chun, ZHANG Ji-Dong
doaj
Circuit quantization from first principles
Physical Review ResearchSuperconducting circuit quantization conventionally starts from classical Euler-Lagrange circuit equations of motion. Invoking the correspondence principle yields a canonically quantized description of circuit dynamics over a bosonic Hilbert space.
Yun-Chih Liao +2 more
doaj +1 more source