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A model for cross-over designs with repeated measures within each period was developed. It is obtained using an extension of generalized estimating equations that includes a parametric component to model treatment effects and a…

Methodology · Statistics 2023-03-21 N. A. Cruz , O. O. Melo , C. A. Martinez

Machine learning models that embed graphs in non-Euclidean spaces have shown substantial benefits in a variety of contexts, but their application has not been studied extensively in the biological domain, particularly with respect to…

Quantitative Methods · Quantitative Biology 2025-02-06 Daniel McNeela , Frederic Sala , Anthony Gitter

Correctly identifying treatment effects in observational studies is very difficult due to the fact that the outcome model or the treatment assignment model must be correctly specified. Taking advantages of semiparametric models in this…

Methodology · Statistics 2022-07-08 Jichang Yu , Haibo Zhou , Jianwen Cai

We present a molecular simulation method to simultaneously find multiple transition pathways, and their associated free-energy profiles. The scheme extends path-metadynamics (PMD) [Phys. Rev. Lett. 109, 020601 (2012)] with multiple paths…

Statistical Mechanics · Physics 2025-06-23 Alberto Pérez de Alba Ortíz , Bernd Ensing

Finding representative reaction pathways is necessary for understanding mechanisms of molecular processes, but is considered to be extremely challenging. We propose a new method to construct reaction paths based on mean first-passage times.…

Chemical Physics · Physics 2015-06-26 Sanghyun Park , Klaus Schulten

Gene interaction graphs aim to capture various relationships between genes and can represent decades of biology research. When trying to make predictions from genomic data, those graphs could be used to overcome the curse of dimensionality…

Complex systems may contain heterogeneous types of variables that interact in a multi-level and multi-scale manner. In this context, high-level layers may considered as groups of variables interacting in lower-level layers. This is…

Quantitative Methods · Quantitative Biology 2018-11-28 Veronica Tozzo , Federico Tomasi , Margherita Squillario , Annalisa Barla

Dynamical systems across many disciplines are modeled as interacting particles or agents, with interaction rules that depend on a very small number of variables (e.g. pairwise distances, pairwise differences of phases, etc...), functions of…

Machine Learning · Computer Science 2022-08-05 Jinchao Feng , Mauro Maggioni , Patrick Martin , Ming Zhong

Enzymatic molecules that actively support many cellular processes, including transport, cell division and cell motility, are known as motor proteins or molecular motors. Experimental studies indicate that they interact with each other and…

Biological Physics · Physics 2015-05-20 Daniel Celis-Garza , Hamid Teimouri , Anatoly B. Kolomeisky

Biological signaling pathways based upon proteins binding to one another to relay a signal for genetic expression, such as the Bone Morphogenetic Protein (BMP) signaling pathway, can be modeled by mass action kinetics and conservation laws…

Quantitative Methods · Quantitative Biology 2021-11-29 Vincent Zaballa , Elliot Hui

Synthetic biology aims at designing modular genetic circuits that can be assembled according to the desired function. When embedded in a cell, a circuit module becomes a small subnetwork within a larger environmental network, and its…

Molecular Networks · Quantitative Biology 2019-01-14 Johannes Falk , Leo Bronstein , Maleen Hanst , Barbara Drossel , Heinz Koeppl

Signaling pathways serve to communicate information about extracellular conditions into the cell, to both the nucleus and cytoplasmic processes to control cell responses. Genetic mutations in signaling network components are frequently…

Molecular Networks · Quantitative Biology 2021-06-15 Michael A. Kochen , Steven S. Andrews , H. Steven Wiley , Song Feng , Herbert M. Sauro

It has been shown that a random-effects framework can be used to test the association between a gene's expression level and the number of DNA copies of a set of genes. This gene-set modelling framework was later applied to find associations…

Methodology · Statistics 2015-10-09 Renée Menezes , Leila Mohammadi , Jelle Goeman , Judith Boer

In genetic studies, not only can the number of predictors obtained from microarray measurements be extremely large, there can also be multiple response variables. Motivated by such a situation, we consider semiparametric dimension reduction…

Methodology · Statistics 2013-09-25 Heng Lian , Shujie Ma

The canonical Wnt signaling pathway, mediated by $\beta$-catenin, is crucially involved in development, adult stem cell tissue maintenance and a host of diseases including cancer. We undertake analysis of different mathematical models of…

Quantitative Methods · Quantitative Biology 2015-06-22 Adam L. MacLean , Zvi Rosen , Helen M. Byrne , Heather A. Harrington

Motivated by the need to develop simulation tools for verification and validation of autonomous driving systems operating in traffic consisting of both autonomous and human-driven vehicles, we propose a framework for modeling vehicle…

Systems and Control · Computer Science 2019-04-12 Nan Li , Yu Yao , Ilya Kolmanovsky , Ella Atkins , Anouck Girard

A novel group of small non-coding RNA, known as microRNA (miRNA) is predicted to regulate as high as 90% of the coding genes in human. The diversity and abundance of miRNA targets offer an enormous level of combinatorial possibilities and…

Genomics · Quantitative Biology 2010-09-03 Sushmita Mookherjee , Mithun Sinha , Saikat Mukhopadhyay , Nitai P. Bhattacharyya , P. K. Mohanty

Functional protein-protein interactions are crucial in most cellular processes. They enable multi-protein complexes to assemble and to remain stable, and they allow signal transduction in various pathways. Functional interactions between…

Biomolecules · Quantitative Biology 2018-11-14 Anne-Florence Bitbol

Genome-Scale Metabolic Models (GEMs) describe the interactions between genes, proteins, and the biochemical reactions that underpin an organism's metabolism aiming to computationally simulate functions at the cellular level. While many…

Genetic association studies for brain connectivity phenotypes have gained prominence due to advances in non-invasive imaging techniques and quantitative genetics. Brain connectivity traits, characterized by network configurations and unique…

Methodology · Statistics 2023-05-17 Xinyuan Tian , Yiting Wang , Selena Wang , Yi Zhao , Yize Zhao