Results 61 to 70 of about 3,910,302 (248)
, 1995 Quantum Mechanical Rototranslational and Virial Sum Rules for Geometrical Derivatives of Second-Order Properties and Nuclear Electric Hypershieldings have been ...
G. Berthier +5 more
core +1 more source
Quantum dot enabled thermal imaging of optofluidic devices [PDF]
, 2012 Quantum dot thermal imaging has been used to analyse the chromatic dependence of laser-induced thermal effects inside optofluidic devices with monolithically integrated near-infrared waveguides. We demonstrate how microchannel optical local heating plays
Rodenas, Airan +5 more
core +1 more source
In silico and in vitro exploration of a tyrosinase for biocatalytic production of catechols
FEBS Open Bio, EarlyView.Tyrosinase from Ralstonia pseudosolanacearum is a promising biocatalyst for producing valuable catechols from monophenol substrates. This tyrosinase is uniquely suited to this due to its high monophenolase : diphenolase ratio. We combined in silico docking and in vivo kinetic characterisation of this tyrosinase with 11 industrially relevant monophenols,
James Britton +6 more
wiley +1 more source
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs [PDF]
, 2021 Community efforts in the computational molecular sciences (CMS) are evolving toward modular, open, and interoperable interfaces that work with existing community codes to provide more functionality and composability than could be achieved with a single ...
De Silva, Nuwan +7 more
core
Symmetry in Quantum and Computational Chemistry: Volume 2
, 2023 The problem of symmetry in quantum and computational chemistry is a paradigm of development in this field of knowledge [...
Alexander S. Novikov
core +1 more source
Adenosine triphosphate as a modulator of protein interactions and stability
FEBS Open Bio, EarlyView.ATP is best known as the cell's energy currency, but it also shapes how proteins fold, interact, aggregate and form biomolecular condensates. This review explains the emerging physical principles behind these effects, including weak binding to charged protein regions, magnesium‐dependent behaviour and concentration‐dependent control of protein ...
Shuyuan Tan, Robin Curtis
wiley +1 more source
iScienceSummary: Prolyl-4-hydroxylation is an ancient evolutionarily conserved post-translational modification (PTM) critical for both structural and regulatory functions in multicellular life forms. This PTM plays a pivotal role in stabilizing collagen’s triple
Ashutosh Joshi +2 more
doaj +1 more source
, 2023 <p>CUDA Quantum is now available <a href="https://pypi.org/project/cuda-quantum/">on PyPI</a>! For the initial PyPI release, the NVIDIA multi-gpu and tensornet backends are not yet included. Check out our Docker images <a href="https:
The CUDA Quantum development team
core +1 more source
Heterotropic regulation and negative homotropic cooperativity
FEBS Open Bio, EarlyView.We identified a structural module common to some proteins that couple negative cooperativity with heterotropic regulation, two features that rarely coexist. These proteins are ring‐like and present an ordered asymmetry whereby noncontacting subunits are symmetric, and their tertiary structure differs from that of contacting subunits.
Veronica Morea +5 more
wiley +1 more source
Quantum computing for molecular vibrational energies: A comprehensive study
Materials Today QuantumIn this work, we present a comprehensive comparative study between two different Ansatz quantum circuits, specifically the Unitary Vibrational Coupled Cluster (UVCC) and the Compact Heuristic Circuit (CHC) with use in computational chemistry.
Somasundaram R. +3 more
doaj +1 more source