A comprehensive review on current advances in peptide drug development and design
Protein–protein interactions (PPIs) execute many fundamental cellular functions and have
served as prime drug targets over the last two decades. Interfering intracellular PPIs with …
served as prime drug targets over the last two decades. Interfering intracellular PPIs with …
Coarse-grained protein models and their applications
The traditional computational modeling of protein structure, dynamics, and interactions
remains difficult for many protein systems. It is mostly due to the size of protein …
remains difficult for many protein systems. It is mostly due to the size of protein …
Harnessing protein folding neural networks for peptide–protein docking
Highly accurate protein structure predictions by deep neural networks such as AlphaFold2
and RoseTTAFold have tremendous impact on structural biology and beyond. Here, we …
and RoseTTAFold have tremendous impact on structural biology and beyond. Here, we …
A deep-learning framework for multi-level peptide–protein interaction prediction
Peptide-protein interactions are involved in various fundamental cellular functions and their
identification is crucial for designing efficacious peptide therapeutics. Recently, a number of …
identification is crucial for designing efficacious peptide therapeutics. Recently, a number of …
PEP-FOLD3: faster de novo structure prediction for linear peptides in solution and in complex
A Lamiable, P Thévenet, J Rey, M Vavrusa… - Nucleic acids …, 2016 - academic.oup.com
Abstract Structure determination of linear peptides of 5–50 amino acids in aqueous solution
and interacting with proteins is a key aspect in structural biology. PEP-FOLD3 is a novel …
and interacting with proteins is a key aspect in structural biology. PEP-FOLD3 is a novel …
New additions to the C lus P ro server motivated by CAPRI
The heavily used protein–protein docking server ClusPro performs three computational
steps as follows:(1) rigid body docking,(2) RMSD based clustering of the 1000 lowest energy …
steps as follows:(1) rigid body docking,(2) RMSD based clustering of the 1000 lowest energy …
Predicting immunogenic tumour mutations by combining mass spectrometry and exome sequencing
Human tumours typically harbour a remarkable number of somatic mutations. If presented
on major histocompatibility complex class I molecules (MHCI), peptides containing these …
on major histocompatibility complex class I molecules (MHCI), peptides containing these …
Highly flexible ligand docking: Benchmarking of the DockThor program on the LEADS-PEP protein–peptide data set
Protein–peptide interactions play a crucial role in many cellular and biological functions,
which justify the increasing interest in the development of peptide-based drugs. However …
which justify the increasing interest in the development of peptide-based drugs. However …
Beware of docking!
YC Chen - Trends in pharmacological sciences, 2015 - cell.com
Docking is now routine in virtual screening or lead optimization for drug screening and
design. The number of papers related to docking has dramatically increased over the past …
design. The number of papers related to docking has dramatically increased over the past …
Rapid alkalinization factor 22 has a structural and signalling role in root hair cell wall assembly
S Schoenaers, HK Lee, M Gonneau, E Faucher… - Nature Plants, 2024 - nature.com
Pressurized cells with strong walls make up the hydrostatic skeleton of plants. Assembly and
expansion of such stressed walls depend on a family of secreted RAPID ALKALINIZATION …
expansion of such stressed walls depend on a family of secreted RAPID ALKALINIZATION …