Solvation modeling for next-gen biomolecule simulations

下一代生物分子模拟的溶剂化建模

• 批准号: 10798773
• 负责人: Ken A Dill
• 金额: $ 20.4万
• 依托单位: STATE UNIVERSITY NEW YORK STONY BROOK
• 依托单位国家: 美国
• 财政年份: 2020
• 资助国家: 美国
• 起止时间: 2020-06-01 至 2025-05-31
• 项目状态: 未结题
• 来源: https://reporter.nih.gov/project-details/10798773
• 关键词: Affinity; Antibodies; Binding; Biosensor; Excipients; Immobilization; Interferometry; Kinetics; Label; Ligand Binding; Ligands; Light; Modeling; Monitor; Optics; Pattern; Price; Property; Proteins; Surface; Taxes; Techniques; Thick; Time; new technology; simulation

Apparatus ForteBio/Sartorius OCTET R2 for biolayer interferometry. Bio-Layer Interferometry is an analytical technique that monitors the interference pattern of white light reflected from two surfaces; a layer of immobilized protein on the biosensor tip and an internal reference layer. The binding of an analyte in solution to the immobilized protein (ligand) on the biosensor results in an increase in optical thickness which in turn causes a shift in the interference pattern resulting in a wavelength shift. From this wavelength shift the apparatus enables real-time determination of kinetics, protein-ligand affinity and antibody/protein quantitation without the need for fluorescent labeling. Approximate price including taxes is 204,000 USD.

用于生物层干涉测量的ForteBio/Sartorius OCTET R2装置。 生物层干涉测量是一种分析技术， 从两个表面反射的白色光;生物传感器尖端上的一层固定蛋白质 和内部参考层。溶液中的分析物与固定化的 生物传感器上的蛋白质（配体）导致光学厚度的增加， 引起干涉图案的偏移，从而导致波长偏移。从这个波长 移动仪器能够实时测定动力学、蛋白质-配体亲和力和 抗体/蛋白质定量而无需荧光标记。 含税价格约为204，000美元。

项目成果

Influence of Low Molecular Weight Salts on the Viscosity of Aqueous-Buffer Bovine Serum Albumin Solutions.

• DOI: 10.3390/molecules27030999
• 发表时间: 2022-02-01
• 期刊: Molecules (Basel, Switzerland)
• 作者: Zdovc B;Jaklin M;Hribar-Lee B;Lukšič M
• 通讯作者: Lukšič M

Structure and thermodynamics of a 2D Lennard-Jones hexagonal fluid.

• DOI: 10.1080/08927022.2022.2096219
• 发表时间: 2022
• 期刊: Molecular simulation
• 影响因子: 2.1

A new fibrillization mechanism of β-lactoglobulin in glycine solutions.

• DOI: 10.1016/j.ijbiomac.2022.06.182
• 发表时间: 2022-09-01
• 期刊: INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
• 影响因子: 8.2
• 作者: Jaklin, Matej;Hritz, Jozef;Hribar-Lee, Barbara
• 通讯作者: Hribar-Lee, Barbara

Effect of Buffer on Protein Stability in Aqueous Solutions: A Simple Protein Aggregation Model.

• DOI: 10.1021/acs.jpcb.0c10339
• 发表时间: 2021-03-18
• 期刊: The journal of physical chemistry. B
• 作者: Brudar S;Hribar-Lee B
• 通讯作者: Hribar-Lee B

Biomolecular Complexation on the "Wrong Side": A Case Study of the Influence of Salts and Sugars on the Interactions between Bovine Serum Albumin and Sodium Polystyrene Sulfonate.

• DOI: 10.1021/acs.biomac.2c00933
• 发表时间: 2022-10-10
• 期刊: Biomacromolecules
• 影响因子: 6.2
• 作者: Simončič M;Hritz J;Lukšič M
• 通讯作者: Lukšič M