Results 71 to 80 of about 5,401,847 (247)
Bayesian optimization in chemical compound sub-spaces using low-dimensional molecular descriptors
Machine Learning: Science and TechnologyEfficient optimization of molecules with targeted properties remains challenging due to the vast size and discrete nature of chemical compound space.
Yun-Wen Mao, Roman V Krems
doaj +1 more source
Journal of Algorithms & Computational Technology, 2019 The main objective of molecular docking is to find a model of interaction between a protein and ligand with a minimum binding energy. This process is driven by intricate algorithms and scoring functions.
Yi Fu, Juan Mei, Ji Zhao
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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 +6 more
wiley +1 more source
Flux Weakening Strategy Optimization for Five-Phase PM Machine with Concentrated Windings [PDF]
, 2012 The paper applies an Efficient Global Optimization method (EGO) to improve the efficiency, in flux weakening region, of a given 5-phase Permanent Magnet (PM) machine. An optimal control for the four independent currents is thus defined.
JILIN, Gong +3 more
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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 +4 more
wiley +1 more source
Global first-in-class drugs approved in 2023–2024: Breakthroughs and insights
The InnovationFirst-in-class (FIC) drugs are considered the main drivers of new drug discovery and have novel targets and mechanisms. The proportion of FIC drugs among new drugs provides fundamental guidance for both academic and pharmaceutical research. From a global
Daichao Zhai +4 more
doaj +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 +4 more
wiley +1 more source
Smaller is better: nanobodies meet NMR
FEBS Letters, EarlyView.Nanobodies are single‐domain antigen‐binding fragments derived from camelid heavy chain antibodies. Their small size, high stability, and exceptional specificity make nanobodies uniquely useful probes for NMR studies of protein dynamics, transient conformational states, and protein–protein interactions.
Oleg Y. Dmitriev
wiley +1 more source
Membrane composition and thermodynamic identity as boundaries of life for synthetic cell research
FEBS Letters, EarlyView.What makes a cell a cell? The boundary of a living cell is not just a wall. Read as a Markov blanket, the membrane separates internal from external states, generating identity and non‐equilibrium order. Can this identity be rebuilt from scratch in a synthetic cell?
Caterina Presutti, Bert Poolman
wiley +1 more source
Press Release: Optimization Systems Associates Inc. a key participant in Raytheon/Texas Instruments Joint Venture MIMIC Program [PDF]
, 1988 Under subcontract to Compact Software Inc., Optimization Systems Associates Inc. is playing a key role in the MIMIC Program's Design Technology in the area of enhanced circuit optimization with tolerances.
Bandler, John W.
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