19 citations · 48 across the 7 of their papers we have counts for
7 papers
Unified origin of negative energetic elasticity in a lattice polymer chain: soft self-repulsion and bending stiffness
Nobu C. Shirai
We study a single lattice polymer chain under a fixed end-to-end distance, incorporating both Domb--Joyce (DJ) soft-core self-repulsion between polymer segments and a local bending…
Universal Negative Energetic Elasticity in Polymer Chains: Crossovers among Random, Self-Avoiding, and Neighbor-Avoiding Walks
Nobu C. Shirai, Naoyuki Sakumichi
Negative energetic elasticity in gels challenges the conventional understanding of gel elasticity; despite extensive research, a concise explanation remains elusive. In this study,…
Solvent-Induced Negative Energetic Elasticity in a Lattice Polymer Chain
Nobu C. Shirai, Naoyuki Sakumichi
The negative internal energetic contribution to the elastic modulus (negative energetic elasticity) has been recently observed in polymer gels. This finding challenges the conventi…
The interplay of intrinsic disorder and macromolecular crowding on α-synuclein fibril formation
Nobu C. Shirai, Macoto Kikuchi
α-synuclein (α-syn) is an intrinsically disordered protein which is considered to be one of the causes of Parkinson's disease. This protein forms amyloid fibrils when in a highly c…
Structural flexibility of intrinsically disordered proteins induces stepwise target recognition
Nobu C. Shirai, Macoto Kikuchi
An intrinsically disordered protein (IDP) lacks a stable three-dimensional structure, while it folds into a specific structure when it binds to a target molecule. In some IDP-targe…
How to estimate the number of self-avoiding walks over 10^100? Use random walks
Nobu C. Shirai, Macoto Kikuchi
Counting the number of N-step self-avoiding walks (SAWs) on a lattice is one of the most difficult problems of enumerative combinatorics. Once we give up calculating the exact numb…
Multicanonical simulation of the Domb-Joyce model and the Go model: new enumeration methods for self-avoiding walks
Nobu C. Shirai, Macoto Kikuchi
We develop statistical enumeration methods for self-avoiding walks using a powerful sampling technique called the multicanonical Monte Carlo method. Using these methods, we estimat…