Results 41 to 50 of about 194,605 (341)
Exhaustive Search of Ligand Binding Pathways via Volume-based Metadynamics
, 2019 Determining the complete set of ligands' binding/unbinding pathways is important for drug discovery and to rationally interpret mutation data. Here we have developed a metadynamics-based technique that addressed this issue and allows estimating ...
Capelli, Riccardo +2 more
core +1 more source
Quantifying biogenic bias in screening libraries. [PDF]
, 2009 In lead discovery, libraries of 10(6) molecules are screened for biological activity. Given the over 10(60) drug-like molecules thought possible, such screens might never succeed.
Hert, Jérôme +4 more
core +1 more source
BioTechniques, 2007 The repressed transactivator (RTA) yeast two-hybrid system was developed to enable genetic identification of interactions with transcriptional activator proteins.
Phalgun B. Joshi +6 more
doaj +1 more source
Protein-protein interactions: network analysis and applications in drug discovery [PDF]
, 2012 Physical interactions among proteins constitute the backbone of cellular function, making them an attractive source of therapeutic targets. Although the challenges associated with targeting protein-protein interactions (PPIs) -in particular with small ...
Bultinck, Jennyfer +2 more
core +2 more sources
DNA-Encoded Chemical Libraries: Advancing beyond Conventional Small-Molecule Libraries
Accounts of Chemical Research, 2014 ISSN:0001 ...
Franzini RM +2 more
openaire +4 more sources
Exploratory analysis of kinetic solubility measurements of a small molecule library [PDF]
Bioorganic & Medicinal Chemistry, 2011 Kinetic solubility measurements using prototypical assay buffer conditions are presented for a ∼58,000 member library of small molecules. Analyses of the data based upon physical and calculated properties of each individual molecule were performed and resulting trends were considered in the context of commonly held opinions of how physicochemical ...
Ajit Jadhav +8 more
openaire +3 more sources
Cheminformatics tools for analyzing and designing optimized small molecule libraries [PDF]
Cell Chemical Biology, 2018 AbstractLibraries of highly annotated small molecules have many uses in chemical genetics, drug discovery and drug repurposing. Many such libraries have become available, but few data-driven approaches exist to compare these libraries and design new ones.
Moret, Nienke +9 more
openaire +6 more sources
PLoS Biology, 2004 Biological in vitro selection techniques, such as RNA aptamer methods and mRNA display, have proven to be powerful approaches for engineering molecules with novel functions.
David R Halpin, Pehr B Harbury
doaj +1 more source
Scientific Reports, 2021 Poly ADP-ribose polymerase (PARP) inhibitors are promising targeted therapy for epithelial ovarian cancer (EOC) with BRCA mutations or defective homologous recombination (HR) repair. However, reversion of BRCA mutation and restoration of HR repair in EOC
Z. Ping Lin +9 more
doaj +1 more source
Dynamic Combinatorial Libraries: From Exploring Molecular Recognition to Systems Chemistry [PDF]
, 2013 Dynamic combinatorial chemistry (DCC) is a subset of combinatorial chemistry where the library members interconvert continuously by exchanging building blocks with each other.
Li, Jianwei, +2 more
core +2 more sources