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Representation learning for proteins has primarily focused on the global understanding of protein sequences regardless of their length. However, shorter proteins (known as peptides) take on distinct structures and functions compared to…

Quantitative Methods · Quantitative Biology 2022-11-15 Gil Sadeh , Zichen Wang , Jasleen Grewal , Huzefa Rangwala , Layne Price

Interconnectivity, fault tolerance, and dynamic evolution of the circuitry are long sought-after objectives of bio-inspired engineering. Here, we propose dendritic transistors composed of organic semiconductors as building blocks for…

Emerging Technologies · Computer Science 2021-06-14 Matteo Cucchi , Hans Kleemann , Hsin Tseng , Alexander Lee , Karl Leo

We provide evidence that the energy landscapes of folded proteins do not shift with temperature, but the onset of functional dynamics is associated with its effective sampling. The motion of the backbone is described by three distinct…

Soft Condensed Matter · Physics 2007-05-23 Canan Baysal , Ali Rana Atilgan

Despite the prevalence and many successes of deep learning applications in de novo molecular design, the problem of peptide generation targeting specific proteins remains unsolved. A main barrier for this is the scarcity of the high-quality…

Computational Engineering, Finance, and Science · Computer Science 2023-02-06 Tong Lin , Sijie Chen , Ruchira Basu , Dehu Pei , Xiaolin Cheng , Levent Burak Kara

We design toy protein mimicking a machine-like function of an enzyme. Using an insight gained by the study of conformation space of compact lattice polymers, we demonstrate the possibility of a large scale conformational rearrangement which…

Soft Condensed Matter · Physics 2009-11-07 Alexander L. Borovinskiy , Alexander Yu. Grosberg

Conventional kinesin is a homodimeric motor protein that is capable of walking unidirectionally along a cytoskeletal filament. While previous experiments indicated unyielding unidirectionality against an opposing load up to the so-called…

Biological Physics · Physics 2015-05-13 Wenwei Zheng , Dagong Fan , Min Feng , ZhisongWang

Molecular Dynamics (MD) simulations are fundamental computational tools for the study of proteins and their free energy landscapes. However, sampling protein conformational changes through MD simulations is challenging due to the relatively…

Biomolecules · Quantitative Biology 2023-07-20 Diego E. Kleiman , Hassan Nadeem , Diwakar Shukla

Single molecular rotor is an important component for constructing bot-tom-up molecular mechanical machines and a window for shedding light on complex physical and chemical questions about motions of organic molecules on surfaces. Stability…

Mesoscale and Nanoscale Physics · Physics 2022-04-05 Kwan Ho Au Yeung , Tim Kühne , Frank Eisenhut , Francesca Moresco

While Moore's law has driven exponential computing power expectations, its nearing end calls for new avenues for improving the overall system performance. One of these avenues is the exploration of alternative brain-inspired computing…

Neural and Evolutionary Computing · Computer Science 2023-05-16 Charlotte Frenkel , David Bol , Giacomo Indiveri

Peptides are recognized for their varied self-assembly behaviors, forming a wide array of structures and geometries, such as spheres, fibers, and hydrogels, each presenting a unique set of material properties. The functionalities of these…

Biomolecules · Quantitative Biology 2025-05-15 Sarah K. Yorke , Zhenze Yang , Aviad Levin , Alice Ray , Jeremy Owusu Boamah , Tuomas P. J. Knowles , Markus J. Buehler

A theoretical analysis of the unfolding pathway of simple modular proteins in length- controlled pulling experiments is put forward. Within this framework, we predict the first module to unfold in a chain of identical units, emphasizing the…

Soft Condensed Matter · Physics 2018-07-03 Carlos A. Plata , Zackary N. Scholl , Piotr E. Marszalek , A. Prados

In this article, we present a mechanism and related path planning algorithm to construct light-duty barriers out of extruded, inflated tubes weaved around existing environmental features. Our extruded tubes are based on everted vine-robots…

Robotics · Computer Science 2023-10-31 H. J. Kim , H. Abdel-Raziq , X. Liu , A. Y. Siskovic , S. Patil , K. H. Petersen , H. L. Kao

Conventional kinesin is a motor protein, which is able to walk along a microtubule processively. The exact mechanism of the stepping motion and force generation of kinesin is still far from clear. In this paper we argue that neck linker…

Biological Physics · Physics 2009-01-25 Andras Czovek , Gergely J. Szollosi , Imre Derenyi

Climate change, increase in world population and the war in Ukraine have led nations such as the UK to put a larger focus on food security, while simultaneously trying to halt declines in biodiversity and reduce risks to human health posed…

Robotics · Computer Science 2023-03-10 Ionut Moraru , Tsvetan Zhivkov , Shaun Coutts , Dom Li , Elizabeth I. Sklar

In this Account, we describe how synthetic motors that operate by self-diffusiophoresis make use of a self-generated concentration gradient to drive motor motion. A description of propulsion by self-diffusiophoresis is presented for Janus…

Soft Condensed Matter · Physics 2015-01-21 Peter H. Colberg , Shang Yik Reigh , Bryan Robertson , Raymond Kapral

Amphibious legged robots inspired by salamanders are promising in applications in complex amphibious environments. However, despite the significant success of training controllers that achieve diverse locomotion behaviors in conventional…

Robotics · Computer Science 2026-03-18 Mengze Tian , Qiyuan Fu , Chuanfang Ning , Javier Jia Jie Pey , Auke Ijspeert

In recent years, deep learning techniques have made significant strides in molecular generation for specific targets, driving advancements in drug discovery. However, existing molecular generation methods present significant limitations:…

Machine Learning · Computer Science 2025-03-12 Taojie Kuang , Qianli Ma , Athanasios V. Vasilakos , Yu Wang , Qiang , Cheng , Zhixiang Ren

Humanoid robots are machines built with an anthropomorphic shape. Despite decades of research into the subject, it is still challenging to tackle the robot locomotion problem from an algorithmic point of view. For example, these machines…

Robotics · Computer Science 2020-04-28 Stefano Dafarra

Machine learning methods have shown promise in predicting molecular properties, and given sufficient training data machine learning approaches can enable rapid high-throughput virtual screening of large libraries of compounds. Graph-based…

This work introduces an approach for automatic hair combing by a lightweight robot. For people living with limited mobility, dexterity, or chronic fatigue, combing hair is often a difficult task that negatively impacts personal routines. We…

Robotics · Computer Science 2021-08-04 Nathaniel Dennler , Eura Shin , Maja Matarić , Stefanos Nikolaidis
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