A single molecular descriptor to predict solution behavior of therapeutic antibodies

JS Kingsbury, A Saini, SM Auclair, L Fu, MM Lantz… - Science …, 2020 - science.org
Despite the therapeutic success of monoclonal antibodies (mAbs), early identification of
developable mAb drug candidates with optimal manufacturability, stability, and delivery …

Protein Association in Solution: Statistical Mechanical Modeling

V Vlachy, YV Kalyuzhnyi, B Hribar-Lee, KA Dill - Biomolecules, 2023 - mdpi.com
Protein molecules associate in solution, often in clusters beyond pairwise, leading to liquid
phase separations and high viscosities. It is often impractical to study these multi-protein …

Microfluidic techniques for mechanical measurements of biological samples

PF Salipante - Biophysics Reviews, 2023 - pubs.aip.org
The use of microfluidics to make mechanical property measurements is increasingly
common. Fabrication of microfluidic devices has enabled various types of flow control and …

Machine learning applied to determine the molecular descriptors responsible for the viscosity behavior of concentrated therapeutic antibodies

PK Lai, A Fernando, TK Cloutier, Y Gokarn… - Molecular …, 2021 - ACS Publications
Predicting the solution viscosity of monoclonal antibody (mAb) drug products remains as
one of the main challenges in antibody drug design, manufacturing, and delivery. In this …

Characterizing experimental monoclonal antibody interactions and clustering using a coarse-grained simulation library and a viscosity model

A Chowdhury, N Manohar, G Guruprasad… - The Journal of …, 2023 - ACS Publications
Attractive protein–protein interactions in concentrated monoclonal antibody (mAb) solutions
may lead to the formation of clusters that increase viscosity. Here, we propose an analytical …

Subclass Effects on Self-Association and Viscosity of Monoclonal Antibodies at High Concentrations

AA Chowdhury, N Manohar, MA Witek… - Molecular …, 2023 - ACS Publications
The effects of a subclass of monoclonal antibodies (mAbs) on protein–protein interactions,
formation of reversible oligomers (clusters), and viscosity (η) are not well understood at high …

Temperature dependence of protein solution viscosity and protein–protein interactions: insights into the origins of high-viscosity protein solutions

MA Woldeyes, W Qi, VI Razinkov, EM Furst… - Molecular …, 2020 - ACS Publications
Protein solution viscosity (η) as a function of temperature was measured at a series of
protein concentrations under a range of formulation conditions for two monoclonal …

Multiscale coarse-grained approach to investigate self-association of antibodies

S Izadi, TW Patapoff, BT Walters - Biophysical journal, 2020 - cell.com
Self-association of therapeutic monoclonal antibodies (mabs) are thought to modulate the
undesirably high viscosity observed in their concentrated solutions. Computational …

Molecular flexibility of antibodies preserved even in the dense phase after macroscopic phase separation

A Girelli, C Beck, F Bäuerle… - Molecular …, 2021 - ACS Publications
Antibody therapies are typically based on high-concentration formulations that need to be
administered subcutaneously. These conditions induce several challenges, inter alia a …

Coarse-grained molecular dynamics simulations for understanding the impact of short-range anisotropic attractions on structure and viscosity of concentrated …

A Chowdhury, JA Bollinger, BJ Dear… - Molecular …, 2020 - ACS Publications
Understanding protein–protein interactions in concentrated therapeutic monoclonal
antibody (mAb) solutions is desirable for improved drug discovery, processing, and …