activity
19962023
most citedCapturing the essence of folding and functions of biomolecules using Coarse-Grained Models

264 citations · 2.7k across the 64 of their papers we have counts for

collaborators

64 papers

cond-mat.soft2023

Scaling regimes for wormlike chains confined to cylindrical surfaces under tension

Greg Morrison, D. Thirumalai

We compute the free energy of confinement for a wormlike chain (WLC), with persistence length , that is confined to the surface of a cylinder of radius under a…

cond-mat.soft2021

On the emergence of orientational order in folded proteins with implications for allostery

Debayan Chakraborty, Mauro Lorenzo Mugnai, D. Thirumalai

The beautiful structures of single and multi-domain proteins are clearly ordered in some fashion but cannot be readily classified using group theory methods that are successfully u…

cond-mat.soft2020★ 1 cited

Theory and simulations for crowding-induced changes in stability of proteins with applications to repressor

Natalia D. Denesyuk, D. Thirumalai

Experiments and theories have shown that when steric interactions between crowding particles and proteins are dominant, which give rise to Asakura-Oosawa depletion forces, then the…

q-bio.BM2019

Iterative Annealing Mechanism Explains the Functions of the GroEL and RNA Chaperones

D. Thirumalai, George H. Lorimer, Changbong Hyeon

Molecular chaperones are ATP-consuming biological machines, which facilitate the folding of proteins and RNA molecules that are kinetically trapped in misfolded states for long tim…

physics.bio-ph2019★ 91 cited

Theoretical Perspectives on Biological Machines

Mauro L. Mugnai, Changbong Hyeon, Michael Hinczewski +1

Many biological functions are executed by molecular machines, which consume energy and convert it into mechanical work. Biological machines have evolved to transport cargo, facilit…

cond-mat.soft2018

Symmetry, Rigidity, and Allosteric Signaling: From Monomeric Proteins to Molecular Machines

D. Thirumalai, Changbong Hyeon, Pavel I. Zhuravlev +1

Allosteric signaling in biological molecules, which may be viewed as specific action at a distance due to localized perturbation upon binding of ligands or changes in environmental…