[HTML][HTML] The extrinsic proteins of Photosystem II
In this review we examine the structure and function of the extrinsic proteins of Photosystem
II. These proteins include PsbO, present in all oxygenic organisms, the PsbP and PsbQ …
II. These proteins include PsbO, present in all oxygenic organisms, the PsbP and PsbQ …
Evolution of in silico strategies for protein-protein interaction drug discovery
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 …
Solvent accessible surface area approximations for rapid and accurate protein structure prediction
The burial of hydrophobic amino acids in the protein core is a driving force in protein folding.
The extent to which an amino acid interacts with the solvent and the protein core is naturally …
The extent to which an amino acid interacts with the solvent and the protein core is naturally …
KFC2: a knowledge‐based hot spot prediction method based on interface solvation, atomic density, and plasticity features
X Zhu, JC Mitchell - Proteins: Structure, Function, and …, 2011 - Wiley Online Library
Hot spots constitute a small fraction of protein–protein interface residues, yet they account
for a large fraction of the binding affinity. Based on our previous method (KFC), we present …
for a large fraction of the binding affinity. Based on our previous method (KFC), we present …
Identification of computational hot spots in protein interfaces: combining solvent accessibility and inter-residue potentials improves the accuracy
Motivation: Hot spots are residues comprising only a small fraction of interfaces yet
accounting for the majority of the binding energy. These residues are critical in …
accounting for the majority of the binding energy. These residues are critical in …
Hot spots in protein–protein interfaces: Towards drug discovery
Identification of drug-like small molecules that alter protein–protein interactions might be a
key step in drug discovery. However, it is very challenging to find such molecules that target …
key step in drug discovery. However, it is very challenging to find such molecules that target …
HotPoint: hot spot prediction server for protein interfaces
The energy distribution along the protein–protein interface is not homogenous; certain
residues contribute more to the binding free energy, called 'hot spots'. Here, we present a …
residues contribute more to the binding free energy, called 'hot spots'. Here, we present a …
Enhanced prediction of hot spots at protein-protein interfaces using extreme gradient boosting
H Wang, C Liu, L Deng - Scientific reports, 2018 - nature.com
Identification of hot spots, a small portion of protein-protein interface residues that contribute
the majority of the binding free energy, can provide crucial information for understanding the …
the majority of the binding free energy, can provide crucial information for understanding the …
Going the distance for protein function prediction: a new distance metric for protein interaction networks
In protein-protein interaction (PPI) networks, functional similarity is often inferred based on
the function of directly interacting proteins, or more generally, some notion of interaction …
the function of directly interacting proteins, or more generally, some notion of interaction …
APIS: accurate prediction of hot spots in protein interfaces by combining protrusion index with solvent accessibility
Background It is well known that most of the binding free energy of protein interaction is
contributed by a few key hot spot residues. These residues are crucial for understanding the …
contributed by a few key hot spot residues. These residues are crucial for understanding the …