Entropy-enthalpy compensation: role and ramifications in biomolecular ligand recognition and design
JD Chodera, DL Mobley - Annual review of biophysics, 2013 - annualreviews.org
Recent calorimetric studies of interactions between small molecules and biomolecular
targets have generated renewed interest in the phenomenon of entropy-enthalpy …
targets have generated renewed interest in the phenomenon of entropy-enthalpy …
SEDPHAT–a platform for global ITC analysis and global multi-method analysis of molecular interactions
Isothermal titration calorimetry experiments can provide significantly more detailed
information about molecular interactions when combined in global analysis. For example …
information about molecular interactions when combined in global analysis. For example …
High-precision isothermal titration calorimetry with automated peak-shape analysis
Isothermal titration calorimetry (ITC) is a powerful classical method that enables researchers
in many fields to study the thermodynamics of molecular interactions. Primary ITC data …
in many fields to study the thermodynamics of molecular interactions. Primary ITC data …
Integration and global analysis of isothermal titration calorimetry data for studying macromolecular interactions
Isothermal titration calorimetry (ITC) is a powerful and widely used method to measure the
energetics of macromolecular interactions by recording a thermogram of differential heating …
energetics of macromolecular interactions by recording a thermogram of differential heating …
Protein–excipient interactions: Mechanisms and biophysical characterization applied to protein formulation development
TJ Kamerzell, R Esfandiary, SB Joshi… - Advanced drug delivery …, 2011 - Elsevier
The purpose of this review is to demonstrate the critical importance of understanding protein–
excipient interactions as a key step in the rational design of formulations to stabilize and …
excipient interactions as a key step in the rational design of formulations to stabilize and …
GraphscoreDTA: optimized graph neural network for protein–ligand binding affinity prediction
Motivation Computational approaches for identifying the protein–ligand binding affinity can
greatly facilitate drug discovery and development. At present, many deep learning-based …
greatly facilitate drug discovery and development. At present, many deep learning-based …
Applying thermodynamic profiling in lead finding and optimization
G Klebe - Nature Reviews Drug Discovery, 2015 - nature.com
Small-molecule drug discovery involves the optimization of various physicochemical
properties of a ligand, particularly its binding affinity for its target receptor (or receptors). In …
properties of a ligand, particularly its binding affinity for its target receptor (or receptors). In …
Antimicrobial peptides and copper (II) ions: Novel therapeutic opportunities
J Portelinha, SS Duay, SI Yu, K Heilemann… - Chemical …, 2021 - ACS Publications
The emergence of new pathogens and multidrug resistant bacteria is an important public
health issue that requires the development of novel classes of antibiotics. Antimicrobial …
health issue that requires the development of novel classes of antibiotics. Antimicrobial …
Enhanced mechanical properties in cellulose nanocrystal–poly (oligoethylene glycol methacrylate) injectable nanocomposite hydrogels through control of physical …
While injectable hydrogels have several advantages in the context of biomedical use, their
generally weak mechanical properties often limit their applications. Herein, we describe in …
generally weak mechanical properties often limit their applications. Herein, we describe in …
Isothermal titration calorimetry to explore the parameter space of organophosphorus agrochemical adsorption in MOFs
The expansion of manufacturing and commercial agriculture alongside rapid globalization
have resulted in the widespread contamination of freshwater supplies with chemical toxins …
have resulted in the widespread contamination of freshwater supplies with chemical toxins …