Dynamic Metal–Ligand Interaction of Synergistic Polymers for Bistable See‐Through Electrochromic Devices
Sign Up to like & getrecommendations! Published in 2021 at "Advanced Materials"
DOI: 10.1002/adma.202104413
Abstract: Bistable electrochromic materials are a promising alternative solution to reduce energy consumption in displays. Limited by the mechanism and lack of a design strategy, only a few electrochromic materials have truly been able achieve bistability.… read more here.
Keywords: dynamic metal; electrochromic materials; interaction synergistic; ligand ... See more keywords
Efficient computation of co-transcriptional RNA-ligand interaction dynamics.
Sign Up to like & getrecommendations! Published in 2018 at "Methods"
DOI: 10.1016/j.ymeth.2018.04.036
Abstract: Riboswitches form an abundant class of cis-regulatory RNA elements that mediate gene expression by binding a small metabolite. For synthetic biology applications, they are becoming cheap and accessible systems for selectively triggering transcription or translation… read more here.
Keywords: ligand interaction; rna ligand; interaction dynamics; transcriptional rna ... See more keywords
Forging the Basis for Developing Protein-Ligand Interaction Scoring Functions.
Sign Up to like & getrecommendations! Published in 2017 at "Accounts of chemical research"
DOI: 10.1021/acs.accounts.6b00491
Abstract: In structure-based drug design, scoring functions are widely used for fast evaluation of protein-ligand interactions. They are often applied in combination with molecular docking and de novo design methods. Since the early 1990s, a whole… read more here.
Keywords: scoring function; scoring functions; protein ligand; ligand interaction ... See more keywords
MGPLI: exploring multigranular representations for protein-ligand interaction prediction
Sign Up to like & getrecommendations! Published in 2022 at "Bioinformatics"
DOI: 10.1093/bioinformatics/btac597
Abstract: MOTIVATION The capability to predict the potential drug binding affinity against a protein target has always been a fundamental challenge in-silico drug discovery. The traditional experiments in vitro and in vivo are costly and time-consuming… read more here.
Keywords: interaction; prediction; level features; ligand interaction ... See more keywords
Improving Protein–Ligand Interaction Modeling with cryo-EM Data, Templates, and Deep Learning in 2021 Ligand Model Challenge
Sign Up to like & getrecommendations! Published in 2022 at "Biomolecules"
DOI: 10.1101/2022.05.27.493799
Abstract: Elucidating protein-ligand interaction is crucial for studying the function of proteins and compounds in an organism and critical for drug discovery and design. The problem of protein-ligand interaction is traditionally tackled by molecular docking and… read more here.
Keywords: protein ligand; ligand interaction; deep learning; ligand ... See more keywords
Tractable RNA–ligand interaction kinetics
Sign Up to like & getrecommendations! Published in 2017 at "BMC Bioinformatics"
DOI: 10.1186/s12859-017-1823-5
Abstract: BackgroundThe binding of small ligands to RNA elements can cause substantial changes in the RNA structure. This constitutes an important, fast-acting mechanism of ligand-controlled transcriptional and translational gene regulation implemented by a wide variety of… read more here.
Keywords: ligand interaction; ligand; rna ligand; analysis ... See more keywords
Computational Analysis of Physicochemical Factors Driving CYP2D6 Ligand Interaction.
Sign Up to like & getrecommendations! Published in 2017 at "Current computer-aided drug design"
DOI: 10.2174/1573409912666160909092600
Abstract: BACKGROUND The metabolic action of CYP2D6 remains a crucial factor influencing the therapeutic outcomes for many drug molecules while others are either only slightly affected or not affected altogether. OBJECTIVE This study seeks to understand,… read more here.
Keywords: drug; cyp2d6; ligand interaction; physicochemical factors ... See more keywords