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Computational models for studying physical instabilities in high concentration biotherapeutic formulations

mAbs, 2022-12, Vol.14 (1), p.2044744-2044744

Blanco, Marco A.

2022

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Protein-Protein Interactions, Clustering, and Rheology for Bovine IgG up to High Concentrations Characterized by Small Angle X-Ray Scattering and Molecular Dynamics Simulations

Journal of pharmaceutical sciences, 2020-01, Vol.109 (1), p.696-708

2020

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Coarse-Grained Modeling of Protein Second Osmotic Virial Coefficients: Sterics and Short-Ranged Attractions

The journal of physical chemistry. B, 2013-01, Vol.117 (3), p.763-770

2013

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Coarse-Grained Model for Colloidal Protein Interactions, B22, and Protein Cluster Formation

The journal of physical chemistry. B, 2013-12, Vol.117 (50), p.16013-16028

2013

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Monte Carlo simulation of cylinders with short-range attractions

AIP advances, 2018-09, Vol.8 (9), p.095210-095210

2018

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Role of Anisotropic Interactions for Proteins and Patchy Nanoparticles

The journal of physical chemistry. B, 2014-11, Vol.118 (44), p.12599-12611

2014

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Protein–Protein Interactions in Dilute to Concentrated Solutions: α‑Chymotrypsinogen in Acidic Conditions

The journal of physical chemistry. B, 2014-06, Vol.118 (22), p.5817-5831

2014

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Effect of the surface charge distribution on the fluid phase behavior of charged colloids and proteins

The Journal of chemical physics, 2016-10, Vol.145 (15), p.155102-155102

2016

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Reexamining protein-protein and protein-solvent interactions from Kirkwood-Buff analysis of light scattering in multi-component solutions

The Journal of chemical physics, 2011-06, Vol.134 (22), p.225103-225103-12

2011

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

The Journal of chemical physics, 2024-09, Vol.161 (9)

2024

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Coarse-Grained Model for Colloidal Protein Interactions, B 22, and Protein Cluster Formation

The journal of physical chemistry. B, 2013-12, Vol.117 (50), p.16013-16028

2013

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

The journal of physical chemistry. B, 2023-10, Vol.127 (39), p.8344-8357

2023

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Evaluating the Effects of Hinge Flexibility on the Solution Structure of Antibodies at Concentrated Conditions

Journal of pharmaceutical sciences, 2019-05, Vol.108 (5), p.1663-1674

2019

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Predicting structural properties of fluids by thermodynamic extrapolation

The Journal of chemical physics, 2018-05, Vol.148 (19), p.194105-194105

2018

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

Molecular pharmaceutics, 2024-09, Vol.21 (9), p.4553-4564

2024

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Communication: Predicting virial coefficients and alchemical transformations by extrapolating Mayer-sampling Monte Carlo simulations

The Journal of chemical physics, 2017-12, Vol.147 (23), p.231102-231102

2017

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Electrostatically Mediated Attractive Self-Interactions and Reversible Self-Association of Fc-Fusion Proteins

Molecular pharmaceutics, 2024-03, Vol.21 (3), p.1321-1333

2024

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A methodology to calculate small-angle scattering profiles of macromolecular solutions from molecular simulations in the grand-canonical ensemble

The Journal of chemical physics, 2018-08, Vol.149 (8), p.084203-084203

2018

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Predicting low-temperature free energy landscapes with flat-histogram Monte Carlo methods

The Journal of chemical physics, 2017-02, Vol.146 (7), p.074101-074101

2017

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Aggregation of poly(acrylic acid)-containing elastin-mimetic copolymers

Soft matter, 2015-03, Vol.11 (9), p.1839-1850

2015

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ASE Noise Attenuation for Signal at 1548.4 nm Through a Sagnac Interferometer Using High-Birefringence Fiber Which Is Subjected to Temperature Changes

Emerging Challenges for Experimental Mechanics in Energy and Environmental Applications, Proceedings of the 5th International Symposium on Experimental Mechanics and 9th Symposium on Optics in Industry (ISEM-SOI), 2015, 2016, p.215-220

2016

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Measuring Structural Changes as a Function of Protein Environment using Infrared Spectroscopy

Biophysical journal, 2018-02, Vol.114 (3), p.390a-390a

2018

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WITHDRAWN: Evaluating the Effects of Hinge Flexibility on the Solution Structure of Antibodies at Concentrated Conditions

Journal of pharmaceutical sciences, 2018-10

2018

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Monte Carlo simulation of cylinders with short-range attractions

AIP advances, 2018-09, Vol.8 (9)

2018

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Aggregation of poly(acrylic acid)-containing elastin-mimetic copolymersElectronic supplementary information (ESI) available. See DOI: 10.1039/c4sm02525c

2015-02

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Computational models for studying physical instabilities in high concentration biotherapeutic formulations

Protein-Protein Interactions, Clustering, and Rheology for Bovine IgG up to High Concentrations Characterized by Small Angle X-Ray Scattering and Molecular Dynamics Simulations

Coarse-Grained Modeling of Protein Second Osmotic Virial Coefficients: Sterics and Short-Ranged Attractions

Coarse-Grained Model for Colloidal Protein Interactions, B22, and Protein Cluster Formation

Monte Carlo simulation of cylinders with short-range attractions

Role of Anisotropic Interactions for Proteins and Patchy Nanoparticles

Protein–Protein Interactions in Dilute to Concentrated Solutions: α‑Chymotrypsinogen in Acidic Conditions

Effect of the surface charge distribution on the fluid phase behavior of charged colloids and proteins

Reexamining protein-protein and protein-solvent interactions from Kirkwood-Buff analysis of light scattering in multi-component solutions

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

Coarse-Grained Model for Colloidal Protein Interactions, B 22, and Protein Cluster Formation

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

Evaluating the Effects of Hinge Flexibility on the Solution Structure of Antibodies at Concentrated Conditions

Predicting structural properties of fluids by thermodynamic extrapolation

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

Communication: Predicting virial coefficients and alchemical transformations by extrapolating Mayer-sampling Monte Carlo simulations

Electrostatically Mediated Attractive Self-Interactions and Reversible Self-Association of Fc-Fusion Proteins

A methodology to calculate small-angle scattering profiles of macromolecular solutions from molecular simulations in the grand-canonical ensemble

Predicting low-temperature free energy landscapes with flat-histogram Monte Carlo methods

Aggregation of poly(acrylic acid)-containing elastin-mimetic copolymers

ASE Noise Attenuation for Signal at 1548.4 nm Through a Sagnac Interferometer Using High-Birefringence Fiber Which Is Subjected to Temperature Changes

Measuring Structural Changes as a Function of Protein Environment using Infrared Spectroscopy

WITHDRAWN: Evaluating the Effects of Hinge Flexibility on the Solution Structure of Antibodies at Concentrated Conditions

Monte Carlo simulation of cylinders with short-range attractions

Aggregation of poly(acrylic acid)-containing elastin-mimetic copolymersElectronic supplementary information (ESI) available. See DOI: 10.1039/c4sm02525c

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