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Search Publications by: Joseph Curtis (Fed)

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Displaying 1 - 25 of 48

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

Morphological Characterization of Self-Amplifying mRNA Lipid Nanoparticles

January 16, 2024
Author(s)
Jacob Thelen, Wellington Leite, Volker Urban, Hugh O'Neill, Alexander Grieshaev, Joseph E. Curtis, Susan N. Krueger, Maria M. Castellanos
The mRNA technology has emerged as a rapid modality to develop vaccines during pandemic situations with the potential to protect against endemic diseases. The success of mRNA in producing an antigen is dependent on the ability to deliver mRNA to the cells

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

Styrene-Maleic Acid Copolymer Nanodiscs to Determine the Shape of Membrane Proteins

January 28, 2022
Author(s)
Cheol Jeong, Ryan Franklin, Karen J. Edler, Kenno Vanommeslaeghe, Joseph E. Curtis
Lipid nanodiscs can be used to solubilize functional membrane proteins (MPs) in nativelike environments. Thus, they are promising reagents that have been proven useful to characterize MPs. Both protein and non-protein molecular belts have shown promise to

Intermediate Scattering Functions of a Rigid Body Monoclonal Antibody Protein in Solution Studied by Dissipative Particle Dynamic Simulation

April 8, 2021
Author(s)
Yanqin Zhai, Nicos Martys, William L. George, Joseph E. Curtis, Jannatun Nayem, Y. Z, Yun Liu
In the past decade, there is increased research interest in studying internal motions of flexible proteins in solution using Neutron Spin Echo (NSE) as NSE can simultaneously probe the dynamics at the length and time scale comparable to protein domain

Structural Characterization and Modeling of a Respiratory Syncytial Virus Fusion Glycoprotein Nanoparticle Vaccine in Solution

January 4, 2021
Author(s)
Susan T. Krueger, Joseph E. Curtis, Daniel R. Scott, Alexander Grishaev, Greg Glenn, Gale Smith, Larry Ellingsworth, Oleg Borisov, Ernest Maynard
Globally, respiratory syncytial virus (RSV)is a major cause of sever lower respiratory tract infection in young children, older adults, and immune compromised populations, for which there are no licensed vaccines. The RSV fusion (F)/polysorbate 80 (PS80)

Characterization of an Extensive Interface on Vitronectin for Binding to Plasminogen Activator Inhibitor-1: Adoption of Structure in an Intrinsically Disordered Region

December 24, 2019
Author(s)
Letitia O. Puster, Christopher B. Stanley, Vladmir N. Uversky, Joseph E. Curtis, Susan T. Krueger, Yuzhuo Chu, Cynthia B. Peterson
Small-angle neutron scattering (SANS) measurements were used to characterize vitronectin, a protein found in human plasma and tissues that functions in regulating cell adhesion and migration, as well as proteolytic cascades that affect blood coagulation

ROTDIF-web and ALTENS: GenApp-based Science Gateways for Biomolecular Nuclear Magnetic Resonance (NMR) Data Analysis and Structure Modeling

September 23, 2019
Author(s)
Yuexi Chen, Cheol Jeong, Alexey Savelyev, Susan T. Krueger, Joseph E. Curtis, Emre H. Brookes, David Fushman
Proteins and nucleic acids participate in essentially every biochemical process in living organisms, and the elucidation of their structure and motions is essential for our understanding how these molecular machines perform their function. Nuclear Magnetic

BEES: Bayesian Ensemble Estimation from SAS

August 6, 2019
Author(s)
Samuel Bowerman, Joseph E. Curtis, Joseph Clayton, Emre H. Brookes, Jeff Wereszczynski
Many biomolecular complexes exhibit a flexible ensemble of conformations in solution in order to conduct their biological function. Small angle scattering (SAS) measurements are a popular method for characterizing these flexible molecules due to their

Neutron Scattering in the Biological Sciences: Progress and Prospects

December 1, 2018
Author(s)
Rana Ashkar, Hassina Z. Bilheux, Heliosa Bordallo, Robert Briber, David J. E. Callaway, Xiaolin Cheng, Xiang-Qiang Chu, Joseph E. Curtis, Mark Dadmun, Paul Fenimore, David Fushman, Frank Gabel, Kushol Gupta, Frederick Herberle, Frank Heinrich, Liang Hong, John Katsaras, Zvi Kelman, Eugenia Kharlampieva, Gerald R. Kneller, Andrey Kovalevsky, Susan T. Krueger, Paul Langan, Raquel Lieberman, Yun Liu, Mathias Losche, Edward Lyman, Yimin NMN Mao, John Marino, Carla Mattos, Flora Meilleur, Peter Moody, Jonathan D. Nickels, William B. O'Dell, Hugh O'Neill, Ursula Perez-Salas, Judith Peters, Loukas Petridis, Alexei P. Sokolov, Robert Sutherland, Norman Wagner, Michael NMN Weinrich, Kevin Weiss, Troy Wymore, Yang Zhang, Jeremy C. Smith
The scattering of neutrons can be used to provide information on the structure and dynamics of biological systems on multiple scales of length and time. Pursuant to an NSF-funded workshop in February 2018, we review recent developments in this field as

Characterization of the NISTmAb Reference Material using Small-Angle Scattering and Molecular Simulation Part I: Dilute Protein Structures

March 1, 2018
Author(s)
Maria Monica Castellanos Mantilla, Steven C Howell, David T. Gallagher, Joseph E. Curtis
Both conformational and colloidal stability of therapeutic proteins must be closely monitored and thoroughly characterized to assess the long-term viability of drug products. In these series of papers on small-angle scattering, we characterize the IgG1

Protein Adsorption and Layer Formation at the Stainless Steel - Solution Interface Mediates Shear-Induced Particle Formation for an IgG1 Monoclonal Antibody

February 9, 2018
Author(s)
Cavan K. Kalonia, Frank Heinrich, Joseph E. Curtis, Sid Raman, Maria A. Miller, Steven Hudson
Passage of specific protein solutions through certain pumps, tubing, and/or filling nozzles can result in the production of unwanted subvisible protein particles (SVP). In this work, surface mediated SVP formation was investigated. Specifically, the

Characterization of Monoclonal Antibody - Protein Antigen Complexes Using Small-Angle Scattering and Molecular Modeling

December 15, 2017
Author(s)
Maria Monica Castellanos Mantilla, James Anthony Snyder, Melody Lee, Srinivas Chakravarthy, Nicholas J. Clark, Arnold McAuley, Joseph E. Curtis
The determination of monoclonal antibody interactions with protein antigens in solution can lead to important insight to guide physical characterization and molecular engineering of therapeutic targets. We used small-angle scattering (SAS) combined with

Role of Molecular Flexibility and Colloidal Descriptions of Proteins in Crowded Environments from Small-Angle Scattering

November 10, 2016
Author(s)
Maria Monica Castellanos Mantilla, Nicholas J. Clark, Max C. Watson, Susan Krueger, Arnold McAuley, Joseph Curtis
Small-angle scattering is a powerful technique to study molecular conformation and interactions in a variety of systems. Recent work has questioned the validity of analyzing small-angle scattering data of protein solutions with models from the colloidal

Atomistic Modelling of Scattering Data in the Collaborative Computational Project for Small Angle Scattering (CCP-SAS) 1

October 17, 2016
Author(s)
Stephen J. Perkins, David W. Wright, Hailiang Zhang, Emre H. Brookes, Jianhan Chen, Thomas C. Irving, Susan T. Krueger, David J. Barlow, Karen J. Edler, David J. Scott, Nicholas J. Terrill, Stephen M. King, Paul Butler, Joseph E. Curtis
In solution scattering, the major investment worldwide in multiuser X-ray synchrotrons and neutron sources have resulted in huge advances in the throughput and accuracy of the experimental measurements. Whilst closed-source non-atomistic analytical