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Side chain flexibility is an important factor in ligand binding. In order to determine the extent to which side chain flexibility is involved in ligand binding, a knowledge-based approach was taken. A database composed of examples of…

Biomolecules · Quantitative Biology 2013-01-22 Rafael Najmanovich

In variable or graph selection problems, finding a right-sized model or controlling the number of false positives is notoriously difficult. Recently, a meta-algorithm called Stability Selection was proposed that can provide reliable…

Machine Learning · Statistics 2017-12-14 George Philipp , Seunghak Lee , Eric P. Xing

Assuming that mutation and fixation processes are reversible Markov processes, we prove that the equilibrium ensemble of sequences obeys a Boltzmann distribution with $\exp(4N_e m(1 - 1/(2N)))$, where $m$ is Malthusian fitness and $N_e$ and…

Populations and Evolution · Quantitative Biology 2024-08-20 Sanzo Miyazawa

Several processes in the cell, such as gene regulation, start when key proteins recognise and bind to short DNA sequences. However, as these sequences can be hundreds of million times shorter than the genome, they are hard to find by simple…

Subcellular Processes · Quantitative Biology 2021-01-27 Markus Nyberg , Tobias Ambjörnsson , Per Stenberg , and Ludvig Lizana

Evaluating joint probabilities of potential outcomes and observed variables, and their linear combinations, is a fundamental challenge in causal inference. This paper addresses the bounding and identification of these probabilities in…

Machine Learning · Statistics 2026-02-24 Naoya Hashimoto , Yuta Kawakami , Jin Tian

Stereotyped behaviors are series of postures that show very little variability between repeats. They have been used to classify the dynamics of individuals, groups and species without reference to the lower-level mechanisms that drive them.…

Cell Behavior · Quantitative Biology 2019-06-12 Luke Tweedy , Patrick Witzel , Doris Heinrich , Robert H. Insall , Robert G. Endres

We simulate neutral evolution of proteins imposing conservation of the thermodynamic stability of the native state in the framework of an effective model of folding thermodynamics. This procedure generates evolutionary trajectories in…

Condensed Matter · Physics 2009-11-07 Ugo Bastolla , Markus Porto , H. Eduardo Roman , Michele Vendruscolo

A preferential domain is a collection of sets of preferences which are linear orders over a set of alternatives. These domains have been studied extensively in social choice theory due to both its practical importance and theoretical…

Computer Science and Game Theory · Computer Science 2019-02-26 Palash Dey , Swaprava Nath , Garima Shakya

The identification of anomalies in temporal data is a core component of numerous research areas such as intrusion detection, fault prevention, genomics and fraud detection. This article provides an experimental comparison of the novelty…

Machine Learning · Computer Science 2019-12-02 Rémi Domingues , Pietro Michiardi , Jérémie Barlet , Maurizio Filippone

The tendencies described in this work were revealed in the course of examination of adenine and uracil distribution in the mRNA encoding sequence. The study also discusses the usage of codons occupied by the amino acid arginine in the table…

Other Quantitative Biology · Quantitative Biology 2009-08-11 Denis A. Semenov

Mutation and drift play opposite roles in genetics. While mutation creates diversity, drift can cause gene variants to disappear, especially when they are rare. In the absence of natural selection and migration, the balance between the…

Populations and Evolution · Quantitative Biology 2021-11-29 Gabriella D. Franco , Flavia M. D. Marquitti , Lucas D. Fernandes , Dan Braha , Marcus A. M. de Aguiar

We introduce a model of DNA sequence evolution which can account for biases in mutation rates that depend on the identity of the neighboring bases. An analytic solution for this class of non-equilibrium models is developed by adopting…

Biological Physics · Physics 2007-05-23 Peter F. Arndt , Christopher B. Burge , Terence Hwa

Positive feedback and cooperativity in the regulation of gene expression are generally considered to be necessary for obtaining bistable expression states. Recently, a novel mechanism of bistability termed emergent bistability has been…

Quantitative Methods · Quantitative Biology 2012-10-22 Sayantari Ghosh , Subhasis Banerjee , Indrani Bose

The origin and organizing principles of the genetic code remain fundamental puzzles in life science. The vanishingly low probability of the natural codon-to-amino acid mapping arising by chance has spurred the hypothesis that its structure…

Other Quantitative Biology · Quantitative Biology 2025-10-14 Yudam Seo , Tsvi Tlusty , Junghyo Jo

Stochasticity is both exploited and controlled by cells. Although the intrinsic stochasticity inherent in biochemistry is relatively well understood, cellular variation, or 'noise', is predominantly generated by interactions of the system…

Molecular Networks · Quantitative Biology 2008-09-18 Vahid Shahrezaei , Julien F Ollivier , Peter S Swain

Investigations of molecular bonds between single molecules and molecular complexes by the dynamic force spectroscopy are subject to large fluctuations at nanoscale and possible other aspecific binding, which mask the experimental output.…

Molecular Networks · Quantitative Biology 2015-05-14 Jelena Zivković , Marija Mitrović , Luuk Janssen , Hans A. Heus , Bosiljka Tadić , Sylvia Speller

Advances in de novo synthesis of DNA and computational gene design methods make possible the customization of genes by direct manipulation of features such as codon bias and mRNA secondary structure. Codon context is another feature…

Data Structures and Algorithms · Computer Science 2015-08-17 Dimitris Papamichail , Hongmei Liu , Vitor Machado , Nathan Gould , J. Robert Coleman , Georgios Papamichail

We introduce a novel generative formulation of deep probabilistic models implementing "soft" constraints on their function dynamics. In particular, we develop a flexible methodological framework where the modeled functions and derivatives…

Machine Learning · Statistics 2018-06-19 Marco Lorenzi , Maurizio Filippone

Terms in diachronic text corpora may exhibit a high degree of semantic dynamics that is only partially captured by the common notion of semantic change. The new measure of context volatility that we propose models the degree by which terms…

Computation and Language · Computer Science 2017-11-16 Christian Kahmann , Andreas Niekler , Gerhard Heyer

Variable selection has received widespread attention over the last decade as we routinely encounter high-throughput datasets in complex biological and environment research. Most Bayesian variable selection methods are restricted to mixture…

Methodology · Statistics 2015-03-24 Hanning Li , Debdeep Pati