Computational insights into multivalently binding polymers

Multivalent binding is commonly used throughout biology to create strong, conformal bonds using multiple weak binding interactions simultaneously. Bonds are considered multivalent when multiple ligands on one species simultaneously bind to multiple receptors on another species. Together, this bond can be much stronger than the sum of its parts. Throughout this thesis, we use theory and coarse-grain Brownian dynamics simulations with specific reactive-binding to explore general characteristics of multivalent polymer interactions. Our simulations bridge length and timescales and can sample large polymer systems that bind targets at the sub-nanometer lengthscale. While the simulation and theory presented is very general and can be applied to many different systems of multivalent polymers, this thesis specifically explores consequences for two applications: multivalent polymers as decoys to inhibit infection and polymers as scaffolds for biocondensates.

Name thesis:degree_name

Doctoral

Department dc:contributor.department

Massachusetts Institute of Technology. Department of Materials Science and Engineering

Grantor dc:publisher

Massachusetts Institute of Technology

Year dc:date.issued

2020

Author dc:creator

• Zumbro, Emiko.

Advisor dc:contributor.advisor

• Alfredo Alexander-Katz.

• Materials Science and Engineering.

Statement dc:rights

• MIT theses may be protected by copyright. Please reuse MIT thesis content according to the MIT Libraries Permissions Policy, which is available through the URL provided.

Licence dc:rights.uri

• http://dspace.mit.edu/handle/1721.1/7582

Language dc:language.iso

eng

Handle dc:identifier.uri

https://hdl.handle.net/1721.1/129045

OAI identifier oai:identifier

oai:dspace.mit.edu:1721.1/129045