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Empirical substitution matrices represent the average tendencies of substitutions over various protein families by sacrificing gene-level resolution. We develop a codon-based model, in which mutational tendencies of codon, a genetic code,…

Populations and Evolution · Quantitative Biology 2011-08-31 Sanzo Miyazawa

We introduce a coherence susceptibility method, based on the fact that it signals quantum fluctuations, for identifying quantum phase transitions, which are induced by quantum fluctuations. This method requires no prior knowledge of order…

Quantum Physics · Physics 2016-08-18 Jin-Jun Chen , Jian Cui , Yu-Ran Zhang , Heng Fan

The role of post-translational modification of histones in eukaryotic gene regulation is well recognized. Epigenetic silencing of genes via heritable chromatin modifications plays a major role in cell fate specification in higher organisms.…

Molecular Networks · Quantitative Biology 2009-11-13 Mohammad Sedighi , Anirvan M. Sengupta

Inelastic collisions and elementary chemical reactions proceeding through the formation and subsequent decay of an intermediate collision complex, with an associated deep well on the potential energy surface, pose a challenge for accurate…

Chemical Physics · Physics 2022-06-10 Maarten Konings , Benjamin Desrousseaux , François Lique , Jérôme Loreau

We propose the conformon as a quantum of conformational change for energy transfer in alpha-helical proteins. The underlying mechanism of interaction between the quantum of excitation and the conformational degrees of freedom is nonlinear…

Biological Physics · Physics 2014-05-07 Victor Atanasov , Yasser Omar

Quantum chemical calculations have attracted much attention as a practical application of quantum computing. Quantum computers can prepare superpositions of electronic states with various numbers of electrons on qubits. This special feature…

Chemical Physics · Physics 2024-03-29 Soichi Shirai , Takahiro Horiba , Hirotoshi Hirai

We consider an inhomogeneous quantum phase transition across a multicritical point of the XY quantum spin chain. This is an example of a Lifshitz transition with a dynamical exponent z = 2. Just like in the case z = 1 considered in New J.…

Statistical Mechanics · Physics 2010-10-28 Jacek Dziarmaga , Marek M. Rams

At the Mott transition, electron-electron interaction changes a metal, in which electrons are itinerant, to an insulator, in which electrons are localized. This phenomenon is central to quantum materials. Here we contribute to its…

Strongly Correlated Electrons · Physics 2019-02-20 C. Walsh , P. Sémon , D. Poulin , G. Sordi , A. -M. S. Tremblay

The frequencies of A, C, G and T in mitochondrial DNA vary among species due to unequal rates of mutation between the bases. The frequencies of bases at four-fold degenerate sites respond directly to mutation pressure. At 1st and 2nd…

Populations and Evolution · Quantitative Biology 2016-09-08 Daniel Urbina , Bin Tang , Paul G. Higgs

Predicting how protein mutations affect drug binding remains a major challenge, particularly when the mutations are distal from the binding site. In this study, we introduce a coupled simulation workflow that combines long-time-scale…

Chemical Physics · Physics 2026-03-30 William Dawson , Louis Beal , Marco Zaccaria , Luigi Genovese

We study the spin-dependent stereodynamics of the S + H2 -> SH + H reaction using full-dimensional quantum dynamics calculations with zero total nuclear angular momentum along the triplet 3A" states and singlet 1A' states. We find that the…

Chemical Physics · Physics 2024-07-30 Xuezhi Bian , Joseph Subotnik

Recently, methanol was identified as a sensitive target system to probe variations of the proton-to-electron mass ratio $\mu$ [Jansen \emph{et al.} Phys. Rev. Lett. \textbf{106}, 100801 (2011)]. The high sensitivity of methanol originates…

Chemical Physics · Physics 2012-03-07 Paul Jansen , Isabelle Kleiner , Li-Hong Xu , Wim Ubachs , Hendrick L. Bethlem

Hyperuniform states of matter are characterized by anomalous suppression of long-wavelength density fluctuations. While most of interesting cases of disordered hyperuniformity are provided by complex many-body systems like liquids or…

Quantum Physics · Physics 2021-02-03 Amartya Bose , Salvatore Torquato

The thermodynamics of phase transitions between phases that are size-mismatched but coherent differs from conventional stress-free thermodynamics. Most notably, in open systems such phase transitions are always associated with hysteresis.…

Materials Science · Physics 2022-04-26 J. Magnus Rahm , Joakim Löfgren , Paul Erhart

Quantifying the effects of amino acid mutations in proteins presents a significant challenge due to the vast combinations of residue sites and amino acid types, making experimental approaches costly and time-consuming. The Potts model has…

Methodology · Statistics 2025-05-22 Bingying Dai , Yinan Lin , Kejue Jia , Zhao Ren , Wen Zhou

Adiabatic quantum computation is based on the adiabatic evolution of quantum systems. We analyse a particular class of qauntum adiabatic evolutions where either the initial or final Hamiltonian is a one-dimensional projector Hamiltonian on…

Quantum Physics · Physics 2015-05-13 Avatar Tulsi

We show that the rate of switching between the vibrational states of a modulated nonlinear oscillator is characterized by a quantum critical temperature $T_c\propto\hbar^2$. The rate is independent of $T$ for $T<T_c$. Above $T_c$ there…

Mesoscale and Nanoscale Physics · Physics 2017-09-15 Lingzhen Guo , Vittorio Peano , M. Marthaler , M. I. Dykman

The intricate pattern of chemical modifications on DNA and histones, the "histone code", is considered to be a key gene regulation factor. Multivalency is seen by many as an essential instrument to transmit the "encoded" information to the…

Biomolecules · Quantitative Biology 2013-12-05 Bradley M. Dickson , Dmitri B. Kireev

Phase transitions of small isolated systems are signaled by the shape of the caloric equation of state e^*(T), the relationship between the excitation energy per nucleon e^* and temperature. In this work we compare the experimentally…

Nuclear Theory · Physics 2007-05-23 A. Chbihi , O. Schapiro , S. Salou , D. H. E. Gross

Grain boundary structural transitions can lead to significant changes in the properties and performance of materials. In multi-principal element alloys, understanding these transitions becomes complex due to phenomena such as local chemical…

Materials Science · Physics 2024-03-13 Ian Geiger , Diran Apelian , Xiaoqing Pan , Penghui Cao , Jian Luo , Timothy J. Rupert
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