Computational approaches to therapeutic antibody design: established methods and emerging trends
Antibodies are proteins that recognize the molecular surfaces of potentially noxious
molecules to mount an adaptive immune response or, in the case of autoimmune diseases …
molecules to mount an adaptive immune response or, in the case of autoimmune diseases …
PROTAC technology: A new drug design for chemical biology with many challenges in drug discovery
N Guedeney, M Cornu, F Schwalen, C Kieffer… - Drug Discovery …, 2023 - Elsevier
Abstract Target Protein Degradation TPD is a new avenue and revolutionary for therapeutics
because redefining the principles of classical drug discovery and guided by event-based …
because redefining the principles of classical drug discovery and guided by event-based …
HawkDock: a web server to predict and analyze the protein–protein complex based on computational docking and MM/GBSA
Protein–protein interactions (PPIs) play an important role in the different functions of cells,
but accurate prediction of the three-dimensional structures for PPIs is still a notoriously …
but accurate prediction of the three-dimensional structures for PPIs is still a notoriously …
The ClusPro web server for protein–protein docking
Abstract The ClusPro server (https://cluspro. org) is a widely used tool for protein–protein
docking. The server provides a simple home page for basic use, requiring only two files in …
docking. The server provides a simple home page for basic use, requiring only two files in …
Lactoferrin Against SARS-CoV-2: In Vitro and In Silico Evidences
Lactoferrin (Lf) is a cationic glycoprotein synthetized by exocrine glands and is present in all
human secretions. It is also secreted by neutrophils in infection and inflammation sites. This …
human secretions. It is also secreted by neutrophils in infection and inflammation sites. This …
[HTML][HTML] The spike glycoprotein of SARS-CoV-2: A review of how mutations of spike glycoproteins have driven the emergence of variants with high transmissibility and …
Abstract Late in 2019, SARS-CoV-2 (severe acute respiratory syndrome coronavirus-2)
emerged, causing an unknown type of pneumonia today called coronaviruses disease 2019 …
emerged, causing an unknown type of pneumonia today called coronaviruses disease 2019 …
Comprehensive evaluation of fourteen docking programs on protein–peptide complexes
A large number of protein–protein interactions (PPIs) are mediated by the interactions
between proteins and peptide segments binding partners, and therefore determination of …
between proteins and peptide segments binding partners, and therefore determination of …
Classification and prediction of protein–protein interaction interface using machine learning algorithm
S Das, S Chakrabarti - Scientific reports, 2021 - nature.com
Structural insight of the protein–protein interaction (PPI) interface can provide knowledge
about the kinetics, thermodynamics and molecular functions of the complex while …
about the kinetics, thermodynamics and molecular functions of the complex while …
Benchmarking of different molecular docking methods for protein-peptide docking
Background Molecular docking studies on protein-peptide interactions are a challenging
and time-consuming task because peptides are generally more flexible than proteins and …
and time-consuming task because peptides are generally more flexible than proteins and …
Evolution of in silico strategies for protein-protein interaction drug discovery
SJY Macalino, S Basith, NAB Clavio, H Chang, S Kang… - Molecules, 2018 - mdpi.com
The advent of advanced molecular modeling software, big data analytics, and high-speed
processing units has led to the exponential evolution of modern drug discovery and better …
processing units has led to the exponential evolution of modern drug discovery and better …