End-point binding free energy calculation with MM/PBSA and MM/GBSA: strategies and applications in drug design
Molecular mechanics Poisson–Boltzmann surface area (MM/PBSA) and molecular
mechanics generalized Born surface area (MM/GBSA) are arguably very popular methods …
mechanics generalized Born surface area (MM/GBSA) are arguably very popular methods …
HaloTag technology: a versatile platform for biomedical applications
Exploration of protein function and interaction is critical for discovering links among
genomics, proteomics, and disease state; yet, the immense complexity of proteomics found …
genomics, proteomics, and disease state; yet, the immense complexity of proteomics found …
Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein–protein binding free energies and re-rank binding poses …
Understanding protein–protein interactions (PPIs) is quite important to elucidate crucial
biological processes and even design compounds that interfere with PPIs with …
biological processes and even design compounds that interfere with PPIs with …
Protein‐protein interaction networks as miners of biological discovery
Protein‐protein interactions (PPIs) form the basis of a myriad of biological pathways and
mechanism, such as the formation of protein complexes or the components of signaling …
mechanism, such as the formation of protein complexes or the components of signaling …
Omics-based approaches to guide the design of biomaterials
Recent developments in biomedical engineering have focused on designing smart and bio-
responsive materials. However, a critical step in designing this next generation of …
responsive materials. However, a critical step in designing this next generation of …
Drug‐Like Protein Protein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology
BO Villoutreix, MA Kuenemann, JL Poyet… - Molecular …, 2014 - Wiley Online Library
Fundamental processes in living cells are largely controlled by macromolecular interactions
and among them, protein protein interactions (PPIs) have a critical role while their …
and among them, protein protein interactions (PPIs) have a critical role while their …
Intranasal peptide therapeutics: a promising avenue for overcoming the challenges of traditional CNS drug development
M Bose, G Farias Quipildor, ME Ehrlich, SR Salton - Cells, 2022 - mdpi.com
The central nervous system (CNS) has, among all organ systems in the human body, the
highest failure rate of traditional small-molecule drug development, ranging from 80–100 …
highest failure rate of traditional small-molecule drug development, ranging from 80–100 …
A Large Scale Huntingtin Protein Interaction Network Implicates Rho GTPase Signaling Pathways in Huntington Disease*♦
C Tourette, B Li, R Bell, S O'Hare, LS Kaltenbach… - Journal of Biological …, 2014 - ASBMB
Huntington disease (HD) is an inherited neurodegenerative disease caused by a CAG
expansion in the HTT gene. Using yeast two-hybrid methods, we identified a large set of …
expansion in the HTT gene. Using yeast two-hybrid methods, we identified a large set of …
Towards a detailed atlas of protein–protein interactions
Highlights•We review current resources that organize experimental knowledge of the
interaction space.•We present the latest efforts in the prediction of interactions and the …
interaction space.•We present the latest efforts in the prediction of interactions and the …
The emergence of proteome-wide technologies: systematic analysis of proteins comes of age
M Breker, M Schuldiner - Nature reviews Molecular cell biology, 2014 - nature.com
During the lifetime of a cell proteins can change their localization, alter their abundance and
undergo modifications, all of which cannot be assayed by tracking mRNAs alone. Methods …
undergo modifications, all of which cannot be assayed by tracking mRNAs alone. Methods …