Development and validation of a 3D similarity method for virtual screening [PDF]
, 2013 A predictive 3D similarity workflow approach has been developed using a set of modular Java computer programs that implement algorithms that aim to capture the key components of a 3D similarity search and aim to incorporate methods that address both ...
Butler, Daniel
core +6 more sources
Defining binding efficiency and specificity of auxins for SCFTIR1/AFB-Aux/IAA co-receptor complex formation [PDF]
, 2014 Structure–activity profiles for the phytohormone auxin have been collected for over 70 years, and a number of synthetic auxins are used in agriculture. Auxin classification schemes and binding models followed from understanding auxin structures. However,
Evans, John P. +15 more
core +1 more source
Towards Drift Correction in Chemical Sensors Using an Evolutionary Strategy [PDF]
, 2010 Gas chemical sensors are strongly affected by the so-called drift, i.e., changes in sensors' response caused by poisoning and aging that may significantly spoil the measures gathered.
Squillero, Giovanni +12 more
core +1 more source
Quantitative and evolutionary global analysis of enzyme reaction mechanisms [PDF]
, 2015 The most widely used classification system describing enzyme-catalysed reactions is the Enzyme Commission (EC) number. Understanding enzyme function is important for both fundamental scientific and pharmaceutical reasons.
Nath, Neetika
core +2 more sources
Sampling and Mapping Chemical Space with Extended Similarity Indices [PDF]
, 2023 Visualization of the chemical space is useful in many aspects of chemistry including compound library design, diversity analysis, and exploring structure-property relationships, to name a few.
Ramon, Miranda-Quintana +3 more
core +1 more source
Characterisation of Bombyx mori odorant-binding proteins reveals that a general odorant-binding protein discriminates between sex pheromone components [PDF]
, 2009 In many insect species, odorant-binding proteins (OBPs) are thought to be responsible for the transport of pheromones and other semiochemicals across the sensillum lymph to the olfactory receptors (ORs) within the antennal sensilla.
Field, L.M. +23 more
core +1 more source
Discovery of an unexpected similarity in ligand binding between BRD4 and PPARγ
, 2021 Knowledge about interrelationships between different proteins is crucial in fundamental research for the elucidation of protein networks and pathways.
Pretzel, Jette (author) +3 more
core +1 more source
Effective retrieval and new indexing method for case based reasoning: Application in chemical process design [PDF]
, 2010 In this paper we try to improve the retrieval step for case based reasoning for preliminary design. This improvement deals with three major parts of our CBR system.
Le Lann, Jean-Marc +5 more
core +1 more source
From mice to humans—divergent strategies for intestinal homeostasis and regeneration
FEBS Letters, EarlyView.Recent advances such as organoid genome editing, xenotransplantation, imaging, and whole‐genome sequencing have enabled direct studies of human intestinal stem cells (ISCs). These studies reveal species‐specific features, including slower ISC proliferation, distinct injury responses, slower somatic mutation accumulation in humans, and an inverse ...
Keiko Ishikawa +2 more
wiley +1 more source
FEBS Letters, EarlyView.CT10 regulator of kinase (CRK) and CRK‐Like (CRKL) are signaling adaptors driving cell adhesion, motility, differentiation, and proliferation. SH2‐domain containing (SH) proteins are enriched in YXXP motifs which when phosphorylated create preferred binding sites for CRK family SH2 domains.
Phoebe M. Cousens +8 more
wiley +1 more source