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
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
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
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
, 2020 Additional file 1: Figure S1. The percentage of control (POC) and binding constant values of the final hits. For every inhibitor proved in biochemical assay, its binding constant (Kd in nM) and percentage of control (the lowest percentage of control or kinase in solid support confirms the competition between test molecule and immobilized molecule for ...
Durai, Prasannavenkatesh +3 more
openaire +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. +20 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 +2 more
core +1 more source
Structural and functional studies of intrinsically disordered fibronectin-binding proteins [PDF]
, 2009 Bacterial fibronectin-binding proteins (FnBPs) mediate adhesion of bacteria to host tissues through binding to the human protein fibronectin (Fn). FnBPs are predicted to contain a series of intrinsically disordered Fn-binding repeats (FnBRs), which ...
Norris, Nicole Catherine
core +6 more sources
Biophysical approaches for studying viral entry
FEBS Letters, EarlyView.Viruses infect all living organisms and have been responsible for major epidemics and pandemics. Their ongoing evolutionary battle with host defenses creates a constant need for improved tools to study viral behavior. Advancing methods to probe viral attachment, fusion, and genome release deepen our understanding of how infections begin and support the
Inbar Yosibash, Raya Sorkin
wiley +1 more source