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Related papers: Finite size effects on thermal denaturation of glo…

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We analyze the dependence of cooperativity of the thermal denaturation transition and folding rates of globular proteins on the number of amino acid residues, $N$, using lattice models with side chains,off-lattice Go models and the…

Biomolecules · Quantitative Biology 2016-09-28 Maksim Kouza , Mai Suan Li , Edward P. O'Brien , Chin-Kun Hu , D. Thirumalai

Finite size effects on the calorimetric cooperatity of the folding-unfolding transition in two-state proteins are considered using the Go lattice models with and without side chains. We show that for models without side chains a…

Biomolecules · Quantitative Biology 2009-11-10 Mai Suan Li , D. K. Klimov , D. Thirumalai

We analyze the dependence of thermal denaturation transition and folding rates of globular proteins on the number of amino acid residues, N. Using lattice Go models we show that DeltaT/T_F ~ N^-1, where T_F is the folding transition…

Biomolecules · Quantitative Biology 2007-05-23 Mai Suan Li , D. K. Klimov , D. Thirumalai

We consider equilibrium folding transitions in lattice protein models with and without side chains. A dimensionless measure, $Omega_{c}$, is introduced to quantitatively assess the degree of cooperativity in lattice models and in real…

Soft Condensed Matter · Physics 2007-05-23 D. K. Klimov , D. Thirumalai

Molecular dynamics simulations are performed for a supercooled simple liquid with changing the system size from N=108 to $10^4$ to examine possible finite-size effects. Although almost no systematic deviation is detected in the static pair…

Soft Condensed Matter · Physics 2007-05-23 Kang Kim , Ryoichi Yamamoto

Understanding how monomeric proteins fold under in vitro conditions is crucial to describing their functions in the cellular context. Significant advances both in theory and experiments have resulted in a conceptual framework for describing…

Soft Condensed Matter · Physics 2010-07-20 D. Thirumalai , Edward P. O'Brien , Greg Morrison , Changbong Hyeon

We investigated how the finiteness of the length of the sequence affects the phase transition that takes place at DNA melting temperature. For this purpose, we modified the Transfer Integral method to adapt it to the calculation of both…

Biological Physics · Physics 2011-11-10 Sahin Buyukdagli , Marc Joyeux

We consider the statistical mechanics of a full set of two-dimensional protein-like heteropolymers, whose thermodynamics is characterized by the coil-to-globular ($T_\theta$) and the folding ($T_f$) transition temperatures. For our model,…

chem-ph · Physics 2009-10-28 Carlos J. Camacho , D. Thirumalai

The coil to globule transition of the polypeptide chain is the physical phenomenon behind the folding of globular proteins. Globular proteins with a single domain usually consist of about 30 to 100 amino acid residues, and this finite size…

Biomolecules · Quantitative Biology 2020-10-27 Artem Badasyan , Matjaz Valant , Joze Grdadolnik , Vladimir N. Uversky

In this work we investigate the finite-size effects on the phase structure of Walecka model within the framework of generalized Zeta-function, focusing on the influence of temperature as well as the number and length of compactified spatial…

Nuclear Theory · Physics 2017-11-22 L. M. Abreu , E. S. Nery

The folding ability of a heteropolymer model for proteins subject to Monte Carlo dynamics on a simple cubic lattice is shown to be strongly correlated with the energy gap between the native state and the structurally dissimilar part of the…

Condensed Matter · Physics 2007-05-23 Aaron R. Dinner , Victor Abkevich , Eugene Shakhnovich , Martin Karplus

By balancing the average energy gap with its typical change due to mutations for protein-like heteropolymers with M residues, we show that native states are unstable to mutations on a scale M* ~ (lambda/sigma_mu)^(1/zeta_s), where lambda is…

Soft Condensed Matter · Physics 2009-10-30 H. J. Bussemaker , D. Thirumalai , J. K. Bhattacharjee

We perform a generalized-ensemble simulation of a small peptide taking the interactions among all atoms into account. From this simulation we obtain thermodynamic quantities over a wide range of temperatures. In particular, we show that the…

Chemical Physics · Physics 2009-10-31 Ulrich H. E. Hansmann , Masato Masuya , Yuko Okamoto

We report clear finite size effects in the specific heat and in the relaxation times of a model glass former at temperatures considerably smaller than the Mode Coupling transition. A crucial ingredient to reach this result is a new Monte…

Statistical Mechanics · Physics 2009-11-11 L. A. Fernandez , V. Martin-Mayor , P. Verrocchio

In this work we analyze how effects of finite size may modify the thermodynamics of a system of strongly interacting fermions that we model using an effective field theory with four-point interactions at finite temperature and density and…

High Energy Physics - Theory · Physics 2015-06-11 Antonino Flachi

We present an analysis of finite-size effects in jammed packings of N soft, frictionless spheres at zero temperature. There is a 1/N correction to the discrete jump in the contact number at the transition so that jammed packings exist only…

Soft Condensed Matter · Physics 2015-06-04 Carl P. Goodrich , Andrea J. Liu , Sidney R. Nagel

We study the finite-size effects on the deconfinement phase transition (DPT) of hot and / or dense hadronic matter, using a simple thermodynamic model based on the assumption of coexistence of confined and deconfined phases in a finite…

High Energy Physics - Phenomenology · Physics 2007-05-23 M. Ladrem , A. Ait-El-Djoudi , G. Yezza

We present an analysis of the effects of global topology on the structural stability of folded proteins in thermal equilibrium with a heat bath. For a large class of single domain proteins, we computed the harmonic spectrum within the…

Biomolecules · Quantitative Biology 2007-05-23 R. Burioni , D. Cassi , F. Cecconi , A. Vulpiani

The decay width of the $\omega$ meson at finite temperature is calculated using the Gell-Mann Sharp Wagner model of $\rho$ pole dominance. Effective masses of the $\rho$ and $\omega$ are determined within the framework of real-time…

Nuclear Theory · Physics 2007-05-23 Indrajit Mitra , Abhee K. Dutt-Mazumder

The interest in the topological properties of materials brings into question the problem of topological phase transitions. As a control parameter is varied, one may drive a system through phases with different topological properties. What…

Strongly Correlated Electrons · Physics 2019-03-05 Mucio A. Continentino , Sabrina Rufo , Griffith M. Rufo
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