TY - JOUR
T1 - Influence of Media Disorder on DNA Melting
T2 - A Monte Carlo Study
AU - Majumdar, Debjyoti
N1 - Publisher Copyright:
© 2025 The Author. Published by American Chemical Society.
PY - 2025/1/1
Y1 - 2025/1/1
N2 - We explore the melting of a lattice DNA in the presence of atmospheric disorder, which mimics the crowded environment inside the cell nucleus, using Monte Carlo simulations. The disorder is modeled by randomly retaining lattice sites with probability p while diluting the rest, rendering them unavailable to the DNA. By varying the disorder over a wide range from p = 1 (zero disorder) up to the percolation critical point pc = 0.3116, we show the melting temperature (Tm) to increase nearly linearly with disorder up to p ≈ 0.6, while strong nonlinearity enters for p ≲ 0.6. Associated changes in the bubble statistics have been investigated, showing a substantial change in the bubble size exponent at corresponding melting points for p ≤ 0.5. Based on these findings, two distinct disorder regimes showing weak and strong effects on melting have been identified. For simulations, we use the pruned and enriched Rosenbluth method in conjunction with a depth-first implementation of the Leath algorithm to generate the underlying disorder.
AB - We explore the melting of a lattice DNA in the presence of atmospheric disorder, which mimics the crowded environment inside the cell nucleus, using Monte Carlo simulations. The disorder is modeled by randomly retaining lattice sites with probability p while diluting the rest, rendering them unavailable to the DNA. By varying the disorder over a wide range from p = 1 (zero disorder) up to the percolation critical point pc = 0.3116, we show the melting temperature (Tm) to increase nearly linearly with disorder up to p ≈ 0.6, while strong nonlinearity enters for p ≲ 0.6. Associated changes in the bubble statistics have been investigated, showing a substantial change in the bubble size exponent at corresponding melting points for p ≤ 0.5. Based on these findings, two distinct disorder regimes showing weak and strong effects on melting have been identified. For simulations, we use the pruned and enriched Rosenbluth method in conjunction with a depth-first implementation of the Leath algorithm to generate the underlying disorder.
UR - http://www.scopus.com/inward/record.url?scp=85217107191&partnerID=8YFLogxK
U2 - 10.1021/acs.jctc.4c01286
DO - 10.1021/acs.jctc.4c01286
M3 - Article
C2 - 39902876
AN - SCOPUS:85217107191
SN - 1549-9618
JO - Journal of Chemical Theory and Computation
JF - Journal of Chemical Theory and Computation
ER -