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Search Publications by: Vincent K. Shen (Fed)

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Displaying 1 - 25 of 152

Computational and Theoretical Study of Colloidal Monolayers with Short-Range Attractions and Dipolar Repulsions

March 21, 2025
Author(s)
Chieh-Chih Yeh, Harold Hatch, Adithya Sreenivasan, Bhuvnesh Bharti, Vincent Shen, Zachary Sherman, Thomas Truskett
This study explores the structure and phase behavior of monolayers of model colloids with short-range attractions and long-range repulsions, The model is motivated by recent experiments of hard-sphere-like microspheres that effectively interact via

Anisotropic coarse-grain Monte Carlo simulations of lysozyme, lactoferrin, and NISTmAb by precomputing atomistic models

September 5, 2024
Author(s)
Harold Hatch, Christina Bergonzo, Marco Blanco, Guangcui Yuan, Sergei Grudinin, Mikael Lund, Joseph E. Curtis, Alexander Grishaev, Yun Liu, Vincent K. Shen
We develop a multiscale coarse-grain model of the NIST Monoclonal Antibody Reference Material 8671 (NISTmAb) to enable systematic computational investigations of high-concentration physical instabilities such as phase separation, clustering, and

Monte Carlo molecular simulations with FEASST version 0.25.1

September 5, 2024
Author(s)
Harold Hatch, Daniel Siderius, Vincent K. Shen
FEASST is an open-source Monte Carlo software for particle-based simulations. This software, which was released in 2017, has been used to study phase equilibrium, self-assembly, aggregation or gelation in biological materials, colloids, polymers, ionic

Flow Activation Energy of High-Concentration Monoclonal Antibody Solutions and Protein-Protein Interactions Influenced by NaCl and Sucrose

August 20, 2024
Author(s)
Guangcui Yuan, Paul Salipante, Steven D. Hudson, Richard Gillilan, Qingqiu Huang, Harold Hatch, Vincent Shen, Alexander Grishaev, Suzette Pabit, Rahul Upadhya, Sudeep Adhikari, Jainik Panchal, Marco Blanco, Yun Liu
The solution viscosity and protein−protein interactions (PPIs) as a function of temperature (4−40 °C) were measured at a series of protein concentrations for a monoclonal antibody (mAb) with different formulation conditions, which include NaCl and sucrose

Programming Interfacial Porosity and Symmetry with Escherized Colloids

February 22, 2024
Author(s)
Nathan Mahynski, Vincent K. Shen
We simultaneously design the porosity and plane symmetry of self-assembling colloidal films by using isohedral tiles to determine the location and shape of enthalpically interacting surface patches on motifs being functionalized. The symmetries of both the

Role of Domain-Domain Interactions on the Self-Association and Physical Stability of Monoclonal Antibodies: Effect of pH and Salt

September 26, 2023
Author(s)
Amy Xu, Marco Blanco, Maria Castellanos, Curtis Meuse, Kevin Mattison, Ioannis Karageorgos, Harold Hatch, Vincent Shen, Joseph E. Curtis
Monoclonal antibodies (mAbs) make up a major class of biotherapeutics with a wide range of clinical applications. Their physical stability can be affected by various environmental factors. For instance, an acidic pH can be encountered during different

Classification and Authentication of Materials using Prompt Gamma Ray Activation Analysis

July 12, 2023
Author(s)
Nathan Mahynski, Jacob Monroe, David Sheen, Rick L. Paul, Heather H. Chen-Mayer, Vincent K. Shen
Prompt gamma ray activation analysis (PGAA) is a non-destructive nuclear measurement technique that quantifies isotopes present in a sample. Here, we use PGAA spectra to train different types of models to elucidate how discriminating these spectra are for

Derivable genetic programming for two-dimensional colloidal materials

September 21, 2022
Author(s)
Nathan Mahynski, Bliss Han, Daniel Markiewitz, Vincent K. Shen
We describe a method for deriving surface functionalization patterns for colloidal systems that can induce self-assembly into any chosen periodic symmetry at a planar interface. The result is a sequence of letters, s ∈ A,T,C,G}, or a gene, that describes

Seabird Tissue Archival and Monitoring Project (STAMP) Data from 1999-2010

December 17, 2021
Author(s)
Nathan Mahynski, Jared Ragland, Stacy Schuur, Rebecca Pugh, Vincent K. Shen
The multi-entity, long-term Seabird Tissue Archival and Monitoring Project (STAMP) has collected eggs from various avian species throughout the North Pacific Ocean for over 20 years to create a geospatial and temporal record of environmental conditions

On the virial expansion of model adsorptive systems

November 9, 2021
Author(s)
William P. Krekelberg, Vincent K. Shen
We investigate super critical adsorptive properties of various model systems of variable fluid- solid attractive strengths using the confined-density virial expansion, with coefficients calculated using the Mayer-sampling Monte Carlo method up to fifth