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相关论文: Modie Viewer: Protein Beasts and How to View Them

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Interactive molecular graphics applications facilitate analysis of three dimensional protein structures. Naturally, non-interactive 2-D snapshots of the protein structures do not convey the same level of geometric detail. Several 2-D…

定量方法 · 定量生物学 2014-02-24 Francis Bell , Chunyu Zhao , Ahmet Sacan

The ability to precisely visualize the atomic geometry of the interactions between a drug and its protein target in structural models is critical in predicting the correct modifications in previously identified inhibitors to create more…

生物大分子 · 定量生物学 2018-08-14 Erick Martins Ratamero , Dom Bellini , Christopher G. Dowson , Rudolf A. Roemer

When studying multi-body protein complexes, biochemists use computational tools that can suggest hundreds or thousands of their possible spatial configurations. However, it is not feasible to experimentally verify more than only a very…

人机交互 · 计算机科学 2019-09-25 Katarína Furmanová , Adam Jurčík , Barbora Kozlíková , Helwig Hauser , Jan Byška

All human diseases involve proteins, yet our current tools to characterize and quantify them are limited. To better elucidate proteins across space, time, and molecular composition, we provide provocative projections for technologies to…

Intrinsically disordered regions of proteins play a crucial role in cell signaling and drug discovery. However, their high structural flexibility makes accurate residue-level prediction challenging. Existing methods often rely on…

神经与进化计算 · 计算机科学 2026-03-09 Shaokuan Wang , Pengshan Cui , Yining Qian , An-Yang Lu , Xianpeng Wang

Proteins are a matter of dual nature. As a physical object, a protein molecule is a folded chain of amino acids with multifarious biochemistry. But it is also an instantiation along an evolutionary trajectory determined by the function…

生物大分子 · 定量生物学 2019-09-04 Jean-Pierre Eckmann , Jacques Rougemont , Tsvi Tlusty

Protein-ligand scoring is an important step in a structure-based drug design pipeline. Selecting a correct binding pose and predicting the binding affinity of a protein-ligand complex enables effective virtual screening. Machine learning…

机器学习 · 统计学 2020-10-19 Joshua Hochuli , Alec Helbling , Tamar Skaist , Matthew Ragoza , David Ryan Koes

In this and the associated article 'BioBlender: Fast and Efficient All Atom Morphing of Proteins Using Blender Game Engine', by Zini et al., we present BioBlender, a complete instrument for the elaboration of motion (Zini et al.) and the…

The Protein Secondary Structure Visualizer ProS2Vi is a novel Python-based visualization tool designed to enhance the analysis and accessibility of protein secondary structures calculated and identified by the Dictionary of Secondary…

生物大分子 · 定量生物学 2024-08-08 Luckman Qasim , Laleh Alisaraie

Directed evolution is an iterative laboratory process of designing proteins with improved function by iteratively synthesizing new protein variants and evaluating their desired property with expensive and time-consuming biochemical…

机器学习 · 计算机科学 2025-09-08 Matouš Soldát , Jiří Kléma

Biologists are leading current research on genome characterization (sequencing, alignment, transcription), providing a huge quantity of raw data about many genome organisms. Extracting knowledge from this raw data is an important process…

定量方法 · 定量生物学 2007-05-23 Nicolas Férey , Pierre-Emmanuel Gros , Joan Hérisson , Rachid Gherbi

We present Viser, a 3D visualization library for computer vision and robotics. Viser aims to bring easy and extensible 3D visualization to Python: we provide a comprehensive set of 3D scene and 2D GUI primitives, which can be used…

计算机视觉与模式识别 · 计算机科学 2025-07-31 Brent Yi , Chung Min Kim , Justin Kerr , Gina Wu , Rebecca Feng , Anthony Zhang , Jonas Kulhanek , Hongsuk Choi , Yi Ma , Matthew Tancik , Angjoo Kanazawa

PlayMolecule Viewer is a web-based data visualization toolkit designed to streamline the exploration of data resulting from structural bioinformatics or computer-aided drug design efforts. By harnessing state-of-the-art web technologies…

生物大分子 · 定量生物学 2024-01-31 Mariona Torrens-Fontanals , Panagiotis Tourlas , Stefan Doerr , Gianni De Fabritiis

A commonly recurring problem in structural protein studies, is the determination of all heavy atom positions from the knowledge of the central alpha-carbon coordinates. We employ advances in virtual reality to address the problem. The…

生物大分子 · 定量生物学 2014-12-30 Xubiao Peng , Alireza Chenani , Shuangwei Hu , Yifan Zhou , Antti J. Niemi

In this paper we address the problem of protein classification starting from a multi-view 2D representation of proteins. From each 3D protein structure, a large set of 2D projections is generated using the protein visualization software…

计算机视觉与模式识别 · 计算机科学 2019-10-30 Loris Nanni , Alessandra Lumini , Federica Pasquali , Sheryl Brahnam

A fundamental goal of research in molecular biology is to understand protein structure. Protein crystallography is currently the most successful method for determining the three-dimensional (3D) conformation of a protein, yet it remains…

人工智能 · 计算机科学 2014-11-17 L. Leherte , J. Glasgow , K. Baxter , E. Steeg , S. Fortier

In the modern drug discovery process, medicinal chemists deal with the complexity of analysis of large ensembles of candidate molecules. Computational tools, such as dimensionality reduction (DR) and classification, are commonly used to…

We provide a visualization model that targets the visualization of Protein-Protein Interactions(PPI) and combines it with a super view based on publications and methods to extract interactions. Although there are several existing tools, our…

信息检索 · 计算机科学 2021-11-29 Melih Sozdinler

Depictions of similar human body configurations can vary with changing viewpoints. Using only 2D information, we would like to enable vision algorithms to recognize similarity in human body poses across multiple views. This ability is…

计算机视觉与模式识别 · 计算机科学 2020-10-26 Jennifer J. Sun , Jiaping Zhao , Liang-Chieh Chen , Florian Schroff , Hartwig Adam , Ting Liu

The prediction of the three-dimensional native structure of proteins from the knowledge of their amino acid sequence, known as the protein folding problem, is one of the most important yet unsolved issues of modern science. Since the…

生物物理 · 物理学 2008-11-24 Pablo Echenique
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