Search Results - "Knotts, Thomas A"
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1
A coarse grain model for DNA
Published in The Journal of chemical physics (28-02-2007)“…Understanding the behavior of DNA at the molecular level is of considerable fundamental and engineering importance. While adequate representations of DNA exist…”
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2
A coarse grain model for protein-surface interactions
Published in The Journal of chemical physics (07-09-2013)“…The interaction of proteins with surfaces is important in numerous applications in many fields-such as biotechnology, proteomics, sensors, and medicine--but…”
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3
Probing the effects of surface hydrophobicity and tether orientation on antibody-antigen binding
Published in The Journal of chemical physics (21-04-2017)“…Antibody microarrays have the potential to revolutionize molecular detection for many applications, but their current use is limited by poor reliability, and…”
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4
The effects of antigen size, binding site valency, and flexibility on fab-antigen binding near solid surfaces
Published in The Journal of chemical physics (28-10-2018)“…Next generation antibody microarray devices have the potential to outperform current molecular detection methods and realize new applications in medicine,…”
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5
Assessing site-specific PEGylation of TEM-1 β-lactamase with cell-free protein synthesis and coarse-grained simulation
Published in Journal of biotechnology (10-02-2022)“…PEGylation is a broadly used strategy to enhance the pharmacokinetic properties of therapeutic proteins. It is well established that the location and extent of…”
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6
Communication: Antibody stability and behavior on surfaces
Published in The Journal of chemical physics (14-08-2015)“…Antibody microarrays have the potential to revolutionize molecular detection in scientific, medical, and other biosensor applications, but their current use is…”
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7
The Effects of p‑Azidophenylalanine Incorporation on Protein Structure and Stability
Published in Journal of chemical information and modeling (26-10-2020)“…Functionalization is often needed to harness the power of proteins for beneficial use but can cause losses to stability and/or activity. State of the art…”
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8
Thermodynamics of DNA hybridization on surfaces
Published in The Journal of chemical physics (28-05-2011)“…Hybridization of single-stranded DNA (ssDNA) targets to surface-tethered ssDNA probes was simulated using an advanced coarse-grain model to identify key…”
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9
Predicting stability of alpha-helical, orthogonal-bundle proteins on surfaces
Published in The Journal of chemical physics (21-09-2010)“…The interaction of proteins with surfaces is a key phenomenon in many applications, but current understanding of the biophysics involved is lacking. At…”
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10
Exploring the mechanisms of DNA hybridization on a surface
Published in The Journal of chemical physics (21-01-2013)“…DNA microarrays are a potentially disruptive technology in the medical field, but their use in such settings is limited by poor reliability. Microarrays work…”
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11
Assessing the predictive capabilities of design heuristics and coarse‐grain simulation toward understanding and optimizing site‐specific covalent immobilization of β‐lactamase
Published in Biotechnology journal (01-06-2022)“…For industrial applications, covalent immobilization of enzymes provides minimum leakage, recoverability, reusability, and high stability. Yet, the suitability…”
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12
An Entropic Perspective of Protein Stability on Surfaces
Published in Biophysical journal (01-06-2008)“…The interaction of proteins with surfaces regulates numerous processes in nature, science, and technology. In many applications, it is desirable to place…”
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13
The effects of multiple probes on the hybridization of target DNA on surfaces
Published in The Journal of chemical physics (07-01-2015)“…DNA microarrays have disruptive potential in many fields including genetics and medicine, but the technology has yet to find widespread clinical use due to…”
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14
Communication: Using multiple tethers to stabilize proteins on surfaces
Published in The Journal of chemical physics (07-08-2014)“…Protein surface interactions are important in many applications in biotechnology including protein arrays, but these technologies have not lived up to their…”
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15
The Locational Impact of Site-Specific PEGylation: Streamlined Screening with Cell-Free Protein Expression and Coarse-Grain Simulation
Published in ACS synthetic biology (16-02-2018)“…Although polyethylene glycol (PEG) is commonly used to improve protein stability and therapeutic efficacy, the optimal location for attaching PEG onto proteins…”
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16
Effects of tethering a multistate folding protein to a surface
Published in The Journal of chemical physics (14-05-2011)“…Protein/surface interactions are important in a variety of fields and devices, yet fundamental understanding of the relevant phenomena remains fragmented due…”
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17
Multiple molecule effects on the cooperativity of protein folding transitions in simulations
Published in The Journal of chemical physics (28-06-2012)“…Though molecular simulation of proteins has made notable contributions to the study of protein folding and kinetics, disagreement between simulation and…”
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18
Confinement Effects on the Thermodynamics of Protein Folding: Monte Carlo Simulations
Published in Biophysical journal (01-03-2006)“…The effects of chaperonin-like cage-induced confinement on protein stability have been studied for molecules of varying sizes and topologies. Minimalist models…”
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19
Effects of Chain Grafting Positions and Surface Coverage on Conformations of Model Reversed-Phase Liquid Chromatography Stationary Phases
Published in Journal of physical chemistry. C (19-04-2012)“…Chemical separations in reversed-phase liquid chromatography (RPLC) are made possible by the detailed molecular-level interactions that take place between…”
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20
Thermal and mechanical multistate folding of ribonuclease H
Published in The Journal of chemical physics (21-12-2009)“…Two different classes of experimental techniques exist by which protein folding mechanisms are ascertained. The first class, of which circular dichroism is an…”
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