[HTML][HTML] In silico Approaches for the Design and Optimization of Interfering Peptides Against Protein–Protein Interactions
Large contact surfaces of protein–protein interactions (PPIs) remain to be an ongoing issue
in the discovery and design of small molecule modulators. Peptides are intrinsically capable …
in the discovery and design of small molecule modulators. Peptides are intrinsically capable …
[HTML][HTML] 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 …
[HTML][HTML] Machine learning approaches for protein–protein interaction hot spot prediction: Progress and comparative assessment
S Liu, C Liu, L Deng - Molecules, 2018 - mdpi.com
Hot spots are the subset of interface residues that account for most of the binding free
energy, and they play essential roles in the stability of protein binding. Effectively identifying …
energy, and they play essential roles in the stability of protein binding. Effectively identifying …
[HTML][HTML] PPI-hotspotID: A Method for Detecting Protein-Protein Interaction Hot Spots from the Free Protein Structure
YC Chen, K Sargsyan, JD Wright, YH Chen, YS Huang… - eLife, 2024 - elifesciences.org
Experimental detection of residues critical for protein-protein interactions (PPI) is a
timeconsuming, costly, and labor-intensive process. Hence, high-throughput PPI-hot spot …
timeconsuming, costly, and labor-intensive process. Hence, high-throughput PPI-hot spot …
Computational prediction of protein hot spot residues
J Kenneth Morrow, S Zhang - Current pharmaceutical design, 2012 - ingentaconnect.com
Most biological processes involve multiple proteins interacting with each other. It has been
recently discovered that certain residues in these protein-protein interactions, which are …
recently discovered that certain residues in these protein-protein interactions, which are …
Efficient classification of hot spots and hub protein interfaces by recursive feature elimination and gradient boosting
X Lin, X Zhang, X Xu - IEEE/ACM Transactions on …, 2019 - ieeexplore.ieee.org
Proteins are not isolated biological molecules, which have the specific three-dimensional
structures and interact with other proteins to perform functions. A small number of residues …
structures and interact with other proteins to perform functions. A small number of residues …
PPI-HotspotDB: Database of Protein–Protein Interaction Hot Spots
YC Chen, YH Chen, JD Wright… - Journal of Chemical …, 2022 - ACS Publications
Single-point mutations of certain residues (so-called hot spots) impair/disrupt protein–
protein interactions (PPIs), leading to pathogenesis and drug resistance. Conventionally, a …
protein interactions (PPIs), leading to pathogenesis and drug resistance. Conventionally, a …
Structure-based inhibition of protein–protein interactions
AM Watkins, PS Arora - European journal of medicinal chemistry, 2015 - Elsevier
Protein–protein interactions (PPIs) are emerging as attractive targets for drug design
because of their central role in directing normal and aberrant cellular functions. These …
because of their central role in directing normal and aberrant cellular functions. These …
Energetic contributions of amino acid residues and its cross‐talk to delineate ligand‐binding mechanism
Receptor‐based QSAR approaches can enumerate the energetic contributions of amino
acid residues toward ligand binding only when experimental binding affinity is associated …
acid residues toward ligand binding only when experimental binding affinity is associated …
Efficient localization of hot spots in proteins using a novel S-transform based filtering approach
Protein-protein interactions govern almost all biological processes and the underlying
functions of proteins. The interaction sites of protein depend on the 3D structure which in …
functions of proteins. The interaction sites of protein depend on the 3D structure which in …