Before and after AlphaFold2: An overview of protein structure prediction
LMF Bertoline, AN Lima, JE Krieger… - Frontiers in …, 2023 - frontiersin.org
Three-dimensional protein structure is directly correlated with its function and its
determination is critical to understanding biological processes and addressing human …
determination is critical to understanding biological processes and addressing human …
Computational methods in drug discovery
Computer-aided drug discovery/design methods have played a major role in the
development of therapeutically important small molecules for over three decades. These …
development of therapeutically important small molecules for over three decades. These …
AlphaFold2 models indicate that protein sequence determines both structure and dynamics
Abstract AlphaFold 2 (AF2) has placed Molecular Biology in a new era where we can
visualize, analyze and interpret the structures and functions of all proteins solely from their …
visualize, analyze and interpret the structures and functions of all proteins solely from their …
The SWISS-MODEL Repository—new features and functionality
S Bienert, A Waterhouse, TAP De Beer… - Nucleic acids …, 2017 - academic.oup.com
Abstract SWISS-MODEL Repository (SMR) is a database of annotated 3D protein structure
models generated by the automated SWISS-MODEL homology modeling pipeline. It …
models generated by the automated SWISS-MODEL homology modeling pipeline. It …
SWISS-MODEL: modelling protein tertiary and quaternary structure using evolutionary information
M Biasini, S Bienert, A Waterhouse… - Nucleic acids …, 2014 - academic.oup.com
Protein structure homology modelling has become a routine technique to generate 3D
models for proteins when experimental structures are not available. Fully automated servers …
models for proteins when experimental structures are not available. Fully automated servers …
SwissTargetPrediction: a web server for target prediction of bioactive small molecules
D Gfeller, A Grosdidier, M Wirth, A Daina… - Nucleic acids …, 2014 - academic.oup.com
Bioactive small molecules, such as drugs or metabolites, bind to proteins or other macro-
molecular targets to modulate their activity, which in turn results in the observed phenotypic …
molecular targets to modulate their activity, which in turn results in the observed phenotypic …
Allosteric and orthosteric pharmacology of cannabidiol and cannabidiol‐dimethylheptyl at the type 1 and type 2 cannabinoid receptors
M Tham, O Yilmaz, M Alaverdashvili… - British journal of …, 2019 - Wiley Online Library
Background and Purpose We sought to understand why (−)‐cannabidiol (CBD) and (−)‐
cannabidiol‐dimethylheptyl (CBD‐DMH) exhibit distinct pharmacology, despite near …
cannabidiol‐dimethylheptyl (CBD‐DMH) exhibit distinct pharmacology, despite near …
Pioneer transcription factors target partial DNA motifs on nucleosomes to initiate reprogramming
Pioneer transcription factors (TFs) access silent chromatin and initiate cell-fate changes,
using diverse types of DNA binding domains (DBDs). FoxA, the paradigm pioneer TF, has a …
using diverse types of DNA binding domains (DBDs). FoxA, the paradigm pioneer TF, has a …
Structure of a eukaryotic voltage-gated sodium channel at near-atomic resolution
INTRODUCTION Voltage-gated sodium (Nav) channels are responsible for the generation
and propagation of action potentials in excitable cells. They undergo voltage-dependent …
and propagation of action potentials in excitable cells. They undergo voltage-dependent …
Whole-genome sequencing identifies common-to-rare variants associated with human blood metabolites
T Long, M Hicks, HC Yu, WH Biggs, EF Kirkness… - Nature …, 2017 - nature.com
Genetic factors modifying the blood metabolome have been investigated through genome-
wide association studies (GWAS) of common genetic variants and through exome …
wide association studies (GWAS) of common genetic variants and through exome …