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检索条件"机构=Bioinformatics and Computational Biology Graduate Program"
136 条 记 录,以下是71-80 订阅
排序:
Communicationmachine Learning-Based QSAR and LB-PaCS-MD Guided Design of SARs-CoV-2 Main Protease Inhibitors
SSRN
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SSRN 2024年
作者: Toopradab, Borwornlak Xie, Wanting Duan, Lian Hengphasatporn, Kowit Harada, Ryuhei Sinsulpsiri, Silpsiri Shigeta, Yasuteru Shi, Liyi Maitarad, Phornphimon Rungrotmongkol, Thanyada Program in Bioinformatics and Computational Biology Graduate School Chulalongkorn University Bangkok10330 Thailand Center of Excellence in Biocatalyst and Sustainable Biotechnology Department of Biochemistry Faculty of Science Chulalongkorn University Bangkok10330 Thailand Research Center of Nano Science and Technology Department of Chemistry College of Science Shanghai University Shanghai200444 China University of Tsukuba 1-1-1 Tennodai Ibaraki Tsukuba305-8577 Japan Graduate School of Pure and Applied Sciences University of Tsukuba 1-1-1 Tennodai Ibaraki305–8571 Japan Emerging Industries Institute Shanghai University Zhejiang Jiaxing314006 China
The global outbreak of the COVID-19 pandemic caused by the SARS-CoV-2 virus had led to profound respiratory health implications. This study focused on designing organoselenium-based inhibitors targeting the SARS-CoV-2... 详细信息
来源: 评论
Tessellated granular metamaterials with tunable elastic moduli
arXiv
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arXiv 2023年
作者: Pashine, Nidhi Wang, Dong Zhang, Jerry Patiballa, Sree Kalyan Witthaus, Sven Shattuck, Mark D. O’Hern, Corey S. Kramer-Bottiglio, Rebecca Department of Mechanical Engineering & Materials Science Yale University New HavenCT06520 United States Department of Physics Yale University New HavenCT06520 United States Department of Applied Physics Yale University New HavenCT06520 United States Graduate Program in Computational Biology & Bioinformatics Yale University New HavenCT06520 United States Benjamin Levich Institute Physics Department The City College of the City University of New York New YorkNY10031 United States
Most granular packings possess shear moduli (G) that increase with the applied external pressure, and bulk moduli (B) that increase or remain constant with pressure. This paper presents "tessellated" granula... 详细信息
来源: 评论
The impact of breast radiotherapy on the tumor genome and immune ecosystem
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Cell Reports 2025年 第5期44卷 115703页
作者: Aislyn Schalck Tuan Tran Jianzhuo Li Emi Sei Shanshan Bai Min Hu Jerome Lin Scott J. Bright Samuel Reddick Fei Yang Harsh Batra Alejandro Contreras Maria Gabriela Raso Michael C. Stauder Karen E. Hoffman Jay P. Reddy Kevin T. Nead Benjamin D. Smith Gabriel O. Sawakuchi Wendy A. Woodward Stephanie S. Watowich Jennifer K. Litton Isabelle Bedrosian Elizabeth A. Mittendorf Huong Le-Petross Nicholas E. Navin Simona F. Shaitelman Department of Systems Biology University of Texas MD Anderson Cancer Center Houston TX 77030 USA Graduate School of Biological Sciences University of Texas Houston TX 770303 USA Department of Radiation Physics University of Texas MD Anderson Cancer Center Houston TX 77030 USA Department of Breast Radiation Oncology University of Texas MD Anderson Cancer Center Houston TX 77030 USA Vanderbilt University School of Medicine Nashville TN 37232 USA Department of Translational Molecular Pathology University of Texas MD Anderson Cancer Center Houston TX 77030 USA Janssen China Research & Development Johnson&Johnson Shanghai 201210 China Department of Anatomical Pathology University of Texas MD Anderson Cancer Center Houston TX 77030 USA Department of Epidemiology University of Texas MD Anderson Cancer Center Houston TX 77030 USA Department of Immunology University of Texas MD Anderson Cancer Center Houston TX 77030 USA Department of Breast Medical Oncology University of Texas MD Anderson Cancer Center Houston TX 77030 USA Department of Breast Surgical Oncology University of Texas MD Anderson Cancer Center Houston TX 77030 USA Division of Breast Surgery Department of Surgery Brigham and Women’s Hospital Boston MA 02115 USA Breast Oncology Program Dana-Farber Brigham Cancer Center Boston MA 02115 USA Harvard Medical School Boston MA 02115 USA Department of Breast Imaging University of Texas MD Anderson Cancer Center Houston TX 77030 USA Department of Bioinformatics and Computational Biology University of Texas MD Anderson Cancer Center Houston TX 77030 USA
Radiotherapy is a pillar of breast cancer treatment; however, it remains unclear how radiotherapy modulates the tumor microenvironment. We investigated this question in a cohort of 20 patients with estrogen-receptor p... 详细信息
来源: 评论
Hypostatic jammed packings of frictionless nonspherical particles
arXiv
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arXiv 2017年
作者: VanderWerf, Kyle Jin, Weiwei Shattuck, Mark D. O'Hern, Corey S. Department of Physics Yale University New HavenCT06520 United States Benjamin Levich Institute and Physics Department City College of New York New YorkNY10031 United States Department of Mechanics and Engineering Science Peking University Beijing100871 China Department of Mechanical Engineering & Materials Science Yale University New HavenCT06520 United States Department of Applied Physics Yale University New HavenCT06520 United States Graduate Program in Computational Biology and Bioinformatics Yale University New HavenCT06520 United States
We perform computational studies of static packings of a variety of nonspherical particles including circulo-lines, circulo-polygons, ellipses, asymmetric dimers, dumbbells, and others to determine which shapes form p... 详细信息
来源: 评论
Assessment of scoring functions for computational models of protein-protein interfaces
arXiv
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arXiv 2024年
作者: Sumner, Jacob Meng, Grace Brandt, Naomi Grigas, Alex T. Córdoba, Andrés Shattuck, Mark D. O’Hern, Corey S. Graduate Program in Computational Biology and Bioinformatics Yale University New HavenCT06520 United States Integrated Graduate Program in Physical and Engineering Biology Yale University New HavenCT06520 United States Department of Chemistry Yale University New HavenCT06520 United States Department of Physics Yale University New HavenCT06520 United States Department of Chemistry Duke University DurhamNC27708 United States Department of Physics Duke University DurhamNC27708 United States Benjamin Levich Institute Physics Department City College of New York New YorkNY10031 United States Department of Mechanical Engineering and Materials Science Yale University New HavenCT06520 United States Department of Applied Physics Yale University New HavenCT06520 United States
A goal of computational studies of protein-protein interfaces (PPIs) is to predict the binding site between two monomers that form a heterodimer. The simplest version of this problem is to rigidly re-dock the bound fo... 详细信息
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Current md forcefields fail to capture key features of protein structure and fluctuations: a case study of cyclophilin a and t4 lysozyme
arXiv
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arXiv 2020年
作者: Mei, Zhe Grigas, Alex T. Treado, John D. Corres, Gabriel Melendez Vuorte, Maisa Sammalkorpi, Maria Regan, Lynne Levine, Zachary A. O’Hern, Corey S. Department of Chemistry Yale University New HavenCT06520 United States Integrated Graduate Program in Physical and Engineering Biology Yale University New HavenCT06520 United States Graduate Program in Computational Biology and Bioinformatics Yale University New HavenCT06520 United States Department of Mechanical Engineering and Materials Science Yale University New HavenCT06520 United States Department of Biology UPR Humacao Puerto RicoHumacao00792 Puerto Rico Department of Chemistry and Materials Science School of Chemical Engineering Aalto University Aalto Finland Department of Bioproducts and Biosystems School of Chemical Engineering Aalto University Aalto Finland Institute of Quantitative Biology Biochemistry and Biotechnology Center for Synthetic and Systems Biology School of Biological Sciences University of Edinburgh Edinburgh United Kingdom Department of Pathology Yale School of Medicine New HavenCT06520 United States Department of Molecular Biophysics and Biochemistry Yale University New HavenCT06520 United States Department of Physics Yale University New HavenCT06520 United States Department of Applied Physics Yale University New HavenCT06520 United States
Globular proteins undergo thermal fluctuations in solution, while maintaining an overall well-defined folded structure. In particular, studies have shown that the core structure of globular proteins differs in small, ... 详细信息
来源: 评论
Contact network changes in ordered and disordered disk packings
arXiv
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arXiv 2020年
作者: Tuckman, Philip J. VanderWerf, Kyle Yuan, Ye Zhang, Shiyun Zhang, Jerry Shattuck, Mark D. O’Hern, Corey S. Department of Physics Yale University New HavenCT06520 United States Department of Mechanics and Engineering Science College of Engineering Peking University Beijing100871 China Department of Mechanical Engineering and Materials Science Yale University New HavenCT06520 United States Benjamin Levich Institute and Physics Department City College of New York New YorkNY10031 United States Department of Physics Yale University Department of Applied New HavenCT06520 United States Graduate Program in Computational Biology and Bioinformatics Yale University New HavenCT06520 United States
We investigate the mechanical response of packings of purely repulsive, frictionless disks to quasistatic deformations. The deformations include simple shear strain at constant packing fraction and at constant pressur... 详细信息
来源: 评论
Universal mechanical response of metallic glasses during strain-rate-dependent uniaxial compression
arXiv
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arXiv 2022年
作者: Jin, Weiwei Datye, Amit Schwarz, Udo D. Shattuck, Mark D. O'Hern, Corey S. Department of Mechanical Engineering and Materials Science Yale University New HavenCT06520 United States Department of Chemical and Environmental Engineering Yale University New HavenCT06520 United States Benjamin Levich Institute Physics Department The City College of New York New YorkNY10031 United States Department of Physics Yale University New HavenCT06520 United States Department of Applied Physics Yale University New HavenCT06520 United States Graduate Program in Computational Biology and Bioinformatics Yale University New HavenCT06520 United States
Experimental data on the compressive strength σmax versus strain rate Ε eng for metallic glasses undergoing uniaxial compression shows significantly different behavior for different alloys. For some metallic glasse... 详细信息
来源: 评论
Jammed packings of 3D superellipsoids with tunable packing fraction, contact number, and ordering
arXiv
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arXiv 2019年
作者: Yuan, Ye VanderWerf, Kyle Shattuck, Mark D. O’Hern, Corey S. Department of Mechanics and Engineering Science College of Engineering Peking University Beijing100871 China Department of Mechanical Engineering and Materials Science Yale University New HavenCT06520 United States Department of Physics Yale University New HavenCT06520 United States Benjamin Levich Institute and Physics Department City College of New York New YorkNY10031 United States Department of Applied Physics Yale University New HavenCT06520 United States Graduate Program in Computational Biology and Bioinformatics Yale University New HavenCT06520 United States
We carry out numerical studies of static packings of frictionless superellipsoidal particles in three spatial dimensions. We consider more than 200 different particle shapes by varying the three shape parameters that ... 详细信息
来源: 评论
Local and global measures of the shear moduli of jammed disk packings
arXiv
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arXiv 2023年
作者: Zhang, Shiyun Jin, Weiwei Wang, Dong Xu, Ding Zhang, Jerry Shattuck, Mark D. O’Hern, Corey S. Department of Physics University of Science and Technology of China Anhui Hefei230026 China Department of Mechanical Engineering and Materials Science Yale University New HavenCT06520 United States Benjamin Levich Institute and Physics Department The City College of New York New YorkNY10031 United States Department of Physics Yale University New HavenCT06520 United States Department of Applied Physics Yale University New HavenCT06520 United States Graduate Program in Computational Biology and Bioinformatics Yale University New HavenCT06520 United States
Strain-controlled isotropic compression gives rise to jammed packings of repulsive, frictionless disks with either positive or negative global shear moduli. We carry out computational studies to understand the contrib... 详细信息
来源: 评论