Results 161 to 170 of about 3,342,969 (292)

The Shewanella oneidensis Fic enzyme SoFic targets the switch‐I region of EF‐Tu for AMPylation

FEBS Letters, EarlyView.
Fic enzymes mediate diverse post‐translational modifications across all domains of life, including AMPylation. Prokaryotic EF‐Tu can be AMPylated and deAMPylated by the conserved Fic enzyme SoFic. Structural and biochemical approaches were used to characterize the effect of AMPylation on EF‐Tu, SoFic's enzymatic activities, and the enzyme‐target ...
Svenja Runge, Vivian Pogenberg, Alexander Baumgart, Bente Siebels, Hartmut Schlüter, Michael Hecht‐Bucher, Aymelt Itzen   +6 more
wiley   +1 more source

Optimal designs for 3D shape analysis with spherical harmonic descriptors [PDF]

We determine optimal designs for some regression models which are frequently used for describing 3D shapes. These models are based on a Fourier expansion of a function defined on the unit sphere in terms of spherical harmonic basis functions.
Dette, Holger, Pepelyshev, Andrey, Melas, Viatcheslav B.   +2 more
core  

Use of Three-Dimensional Molecular Descriptors to Predict the Glass Transition Temperature of Polymers. [PDF]

Polymers (Basel)
Jr HLO, Andrade MP, Lazzari LK, Zattera AJ.   +3 more
europepmc   +1 more source

Evaluation of the Key Structural Features of Various Butyrylcholinesterase Inhibitors Using Simple Molecular Descriptors. [PDF]

Molecules, 2022
Miličević A, Šinko G.
europepmc   +1 more source

Chiral separation of chloroalkanes with the chromatographic column onboard Martian rovers

FEBS Letters, EarlyView.
Computer image of the Rosalind Franklin Rover of ESA's ExoMars mission. ExoMars is scheduled to land on planet Mars in Oxia Planum in 2029. This area represents an interesting spot to look for biosignatures. Investigations of ExoMars include measurement on molecular chirality. We show that chiral chloroalkanes, that have been identified on Mars, can be
Asma Merzougui, Agnes Banreti, Armelle L. Ernst, Guillaume Leseigneur, Uwe J. Meierhenrich   +4 more
wiley   +1 more source

Sequence-Derived and Molecular Descriptors for Interpretable Modeling of Molecular Systems: Insights from Peptide Hemolysis. [PDF]

J Chem Inf Model
Medvedeva A, Kolomeisky K, Vasnetsov C, Reed A, Bodganova A, Kolomeisky AB.   +5 more
europepmc   +1 more source

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, Katharina T. Stonig, Jens Meiler, Clara T. Schoeder, Monica L. Fernández‐Quintero   +4 more
wiley   +1 more source

Random molecular substructures as fragment-type descriptors

Journal of Cheminformatics, 2010
Batista José
doaj   +1 more source

SMILES-based degree molecular descriptors and machine learning for QSPR modeling of anti-alkaptonuria drugs. [PDF]

Front Chem
Wu G, Rasheed MW, Alsulami S.
europepmc   +1 more source

Block-wise Exploration of Molecular Descriptors with Multi-block Orthogonal Component Analysis (MOCA). [PDF]

Mol Inform, 2022
Schmidt S, Schindler M, Eriksson L.
europepmc   +1 more source