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Prediction of metabolism in cytochrome P450s remains to be a crucial yet challenging topic in discovering and designing drugs, agrochemicals and nutritional supplements. The problem is challenging because the rate of P450 metabolism depends…

Biomolecules · Quantitative Biology 2018-11-26 Shulu Feng , Richard A. Friesner

Biological organisms are composed of numerous interconnected biochemical processes. Diseases occur when normal functionality of these processes is disrupted. Thus, understanding these biochemical processes and their interrelationships is a…

Artificial Intelligence · Computer Science 2014-03-04 Saadat Anwar

Understanding functional organization of genetic information is a major challenge in modern biology. Following the initial publication of the human genome sequence in 2001, advances in high-throughput measurement technologies and efficient…

Machine Learning · Statistics 2011-03-01 Leo Lahti

Enzymes are on the front lines of evolution. All living organisms rely on highly efficient, specific enzymes for growth, sustenance, and reproduction; and many diseases are a consequence of a mutation on an enzyme that affects its catalytic…

Molecular Networks · Quantitative Biology 2009-01-07 Nilou Ataie

Gene/protein interactions provide critical information for a thorough understanding of cellular processes. Recently, considerable interest and effort has been focused on the construction and analysis of genome-wide gene networks. The large…

Molecular Networks · Quantitative Biology 2022-04-25 Xin Li , Hsinchun Chen , Zan Huang , Hua Su , Jesse D. Martinez

Cell migration is essential for regulating many biological processes in physiological or pathological conditions, including embryonic development and cancer invasion. In vitro and in silico studies suggest that collective cell migration is…

Proteins, by virtue of their central role in most biological processes, represent one of the key subjects of the study of molecular evolution. Inherent to the indispensability of proteins for living cells is the fact that a given protein…

Biomolecules · Quantitative Biology 2007-05-23 Eric J. Deeds , Eugene I. Shakhnovich

Genomic alterations lead to cancer complexity and form a major hurdle for a comprehensive understanding of the molecular mechanisms underlying oncogenesis. In this review, we describe the recent advances in studying cancer-associated genes…

Molecular Networks · Quantitative Biology 2007-12-24 Edwin Wang , Anne Lenferink , Maureen O'Connor-McCourt

A new approach to the modular, complex systems analysis of nonlinear dynamics in cell cycling network transformations involved in carcinogenesis is proposed. Carcinogenesis is a complex process that involves dynamically inter-connected…

Molecular Networks · Quantitative Biology 2007-05-23 V. I. Prisecaru , I. C. Baianu

Metabolism displays striking and robust regularities in the forms of modularity and hierarchy, whose composition may be compactly described. This renders metabolic architecture comprehensible as a system, and suggests the order in which…

Molecular Networks · Quantitative Biology 2015-06-05 Rogier Braakman , Eric Smith

Photoactive proteins absorb light and undergo structural changes that enable them to perform essential biological functions. These proteins are critical for understanding light-induced biological processes, making them important in…

Chemical Physics · Physics 2025-03-28 Sylwia Czach , Jakub Rydzewski , Wiesław Nowak

Identifying metabolic sites where cytochrome P450 enzymes metabolize small-molecule drugs is essential for drug discovery. Although existing computational approaches have been proposed for site-of-metabolism prediction, they typically…

Quantitative Methods · Quantitative Biology 2026-01-30 Hajung Kim , Eunha Lee , Sohyun Chung , Jueon Park , Seungheun Baek , Jaewoo Kang

The ribosome is a macromolecular complex which is responsible for protein synthesis in all living cells according to their transcribed genetic information. Using X-ray crystallography and, more recently, cryo-electron microscopy (cryo-EM),…

Biological Physics · Physics 2017-11-17 Lars V. Bock , Michal H. Kolář , Helmut Grubmüller

Introduction: While the origin and evolution of proteins remain mysterious, advances in evolutionary genomics and systems biology are facilitating the historical exploration of the structure, function and organization of proteins and…

Quantitative Methods · Quantitative Biology 2026-02-20 Gustavo Caetano-Anollés , M. Fayez Aziz , Fizza Mughal , Derek Caetano-Anollés

Throughout the evolution of biological species on Earth, cells and organs have developed many complex structures and processes to ensure their interactions with individual chemical molecules (small and macromolecular) and nanoscale objects…

Biological Physics · Physics 2021-01-12 Kenneth A. Dawson

Proteins are complex biomolecules that play a central role in various biological processes, making them critical targets for breakthroughs in molecular biology, medical research, and drug discovery. Deciphering their intricate, hierarchical…

Machine Learning · Computer Science 2025-05-09 Viet Thanh Duy Nguyen , Truong-Son Hy

The vast amount of biological knowledge accumulated over the years has allowed researchers to identify various biochemical interactions and define different families of pathways. There is an increased interest in identifying pathways and…

Applications · Statistics 2011-11-24 Francesco C. Stingo , Yian A. Chen , Mahlet G. Tadesse , Marina Vannucci

Proteins are macromolecules that mediate a significant fraction of the cellular processes that underlie life. An important task in bioengineering is designing proteins with specific 3D structures and chemical properties which enable…

Quantitative Methods · Quantitative Biology 2022-05-31 Namrata Anand , Tudor Achim

The metabolic activity of microbes has played an essential role in the evolution and persistence of life on Earth. Microbial metabolism plays a primary role in the flow of carbon, nitrogen and other elements through the biosphere on a…

Populations and Evolution · Quantitative Biology 2022-01-20 Chandana Gopalakrishnappa , Karna Gowda , Kaumudi Prabhakara , Seppe Kuehn

Molecular biology is a nanotechnology that works--it has worked for billions of years and in an amazing variety of circumstances. At its core is a system for acquiring, processing and communicating information that is universal, from…

Genomics · Quantitative Biology 2016-12-21 Apoorva D. Patel
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