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Proteins are an important class of biomolecules that serve as essential building blocks of the cells. Their three-dimensional structures are responsible for their functions. In this thesis we have investigated the protein structures using a…

Molecular Networks · Quantitative Biology 2007-11-19 Ganesh Bagler

A fundamental question for evolutionary biology is why rates of evolution vary dramatically between proteins. Perhaps surprisingly, it is controversial how much a protein's functional importance affects its rate of evolution. In most…

Populations and Evolution · Quantitative Biology 2009-09-20 Ryan N. Gutenkunst

The combination of new recording techniques in neuroscience and powerful inference methods recently held the promise to recover useful effective models, at the single neuron or network level, directly from observed data. The value of a…

Neurons and Cognition · Quantitative Biology 2018-04-09 Cristiano Capone , Guido Gigante , Paolo Del Giudice

Generative modeling has become a central paradigm in protein research, extending machine learning beyond structure prediction toward sequence design, backbone generation, inverse folding, and biomolecular interaction modeling. However, the…

Machine Learning · Computer Science 2026-03-30 Senura Hansaja Wanasekara , Minh-Duong Nguyen , Xiaochen Liu , Nguyen H. Tran , Ken-Tye Yong

We develop a path-based approach to continuous-time random walks on networks with arbitrarily weighted edges. We describe an efficient numerical algorithm for calculating statistical properties of the stochastic path ensemble. After…

Populations and Evolution · Quantitative Biology 2014-08-19 Michael Manhart , Alexandre V. Morozov

The E.coli transcription network has an essentially feedforward structure, with, however, abundant feedback at the level of self-regulations. Here, we investigate how these properties emerged during evolution. An assessment of the role of…

Molecular Networks · Quantitative Biology 2009-11-13 M. Cosentino Lagomarsino , P. Jona , B. Bassetti , H. Isambert

The evolution of the full repertoire of proteins encoded in a given genome is mostly driven by gene duplications, deletions, and sequence modifications of existing proteins. Indirect information about relative rates and other intrinsic…

Genomics · Quantitative Biology 2008-03-25 Jacob Bock Axelsen , Koon-Kiu Yan , Sergei Maslov

Evolving genomes increase a number of their genes by gene duplications. To escape degradation in a functionless pseudogene, any gene duplicate needs to be guarded by negative (purifying) selection from otherwise inevitable fixation of…

Populations and Evolution · Quantitative Biology 2007-05-23 Dmitri Parkhomchuk , Sergei Rodin

Living organisms must respond to environmental changes. Generally, accurate and rapid responses are provided by simple, unidirectional networks that connect inputs with outputs. Besides accuracy and speed, biological responses should also…

Molecular Networks · Quantitative Biology 2021-09-01 Masayo Inoue , Kunihiko Kaneko

We present a novel dual-head deep learning architecture for protein-protein interaction modeling that enables simultaneous prediction of binding affinity ($\Delta G$) and mutation-induced affinity changes ($\Delta\Delta G$) using only…

Quantitative Methods · Quantitative Biology 2025-09-30 Supantha Dey , Ratul Chowdhury

Protein-protein interactions (PPIs) perform important roles on biological functions. Researches of mutants on protein interactions can further understand PPIs. In the past, many researchers have developed databases that stored mutants on…

Biomolecules · Quantitative Biology 2017-08-08 Quanya Liu , Peng Chen , Bing Wang , Jinyan Li

High-throughput protein interaction detection methods are strongly affected by false positive and false negative results. Focused experiments are needed to complement the large-scale methods by validating previously detected interactions…

Molecular Networks · Quantitative Biology 2007-05-23 Istvan Albert , Reka Albert

Naturally occurring networks exhibit quantitative features revealing underlying growth mechanisms. Numerous network mechanisms have recently been proposed to reproduce specific properties such as degree distributions or clustering…

Quantitative Methods · Quantitative Biology 2009-11-10 Manuel Middendorf , Etay Ziv , Chris Wiggins

Genetic regulation is a key component in development, but a clear understanding of the structure and dynamics of genetic networks is not yet at hand. In this paper we investigate these properties within an artificial genome model originally…

Molecular Networks · Quantitative Biology 2009-08-26 Thimo Rohlf , Christopher R. Winkler

The degree distribution of many biological and technological networks has been described as a power-law distribution. While the degree distribution does not capture all aspects of a network, it has often been suggested that its functional…

Molecular Networks · Quantitative Biology 2007-05-23 Michael P. H. Stumpf , Piers J. Ingram

Genetic interaction measures how different genes collectively contribute to a phenotype, and can reveal functional compensation and buffering between pathways under genetic perturbations. Recently, genome-wide screening for genetic…

Molecular Networks · Quantitative Biology 2015-03-17 Gang Fang , Wen Wang , Vanja Paunic , Benjamin Oately , Majda Haznadar , Michael Steinbach , Brian Van Ness , Chad L. Myers , Vipin Kumar

Motivation: Protein interactions are fundamental building blocks of biochemical reaction systems underlying cellular functions. The complexity and functionality of such systems emerge not from the protein interactions themselves but from…

Molecular Networks · Quantitative Biology 2011-06-15 Johannes Köster , Eli Zamir , Sven Rahmann

Modeling the effects of mutations on the binding affinity plays a crucial role in protein engineering and drug design. In this study, we develop a novel deep learning based framework, named GraphPPI, to predict the binding affinity changes…

Biomolecules · Quantitative Biology 2021-09-15 Xianggen Liu , Yunan Luo , Sen Song , Jian Peng

Protein-protein interactions (PPIs) are of fundamental importance for the human body, and the knowledge of their existence can facilitate very important tasks like drug target developing and therapy design. The high-throughput experiments…

Molecular Networks · Quantitative Biology 2019-10-11 Andrea Moscatelli

Protein-protein interactions (PPIs) are essentials for many biological processes where two or more proteins physically bind together to achieve their functions. Modeling PPIs is useful for many biomedical applications, such as vaccine…

Biomolecules · Quantitative Biology 2021-12-10 Yang Xue , Zijing Liu , Xiaomin Fang , Fan Wang