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检索条件"机构=Graduate Program in Computational Science"
384 条 记 录,以下是151-160 订阅
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Tegavivint triggers TECR-dependent nonapoptotic cancer cell death
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Nature chemical biology 2025年 2025 May 26页
作者: Logan Leak Ziwei Wang Alby J Joseph Brianna Johnson Alyssa A Chan Cassandra M Decosto Leslie Magtanong Pin-Joe Ko Weaverly Colleen Lee Joan Ritho Sophia Manukian Alec Millner Shweta Chitkara Jennifer J Salinas Rachid Skouta Matthew G Rees Melissa M Ronan Jennifer A Roth Chad L Myers Jason Moffat Charles Boone Steven J Bensinger David A Nathanson G Ekin Atilla-Gokcumen Everett J Moding Scott J Dixon Department of Biology Stanford University Stanford CA USA. Department of Radiation Oncology Stanford University School of Medicine Stanford CA USA. Department of Chemistry University at Buffalo The State University of New York Buffalo NY USA. Department of Molecular and Medical Pharmacology University of California Los Angeles Los Angeles CA USA. Department of Chemistry University of Massachusetts Amherst Amherst MA USA. Department of Biology University of Massachusetts Amherst Amherst MA USA. Broad Institute of MIT and Harvard Cambridge MA USA. Department of Computer Science and Engineering Bioinformatics and Computational Biology Graduate Program University of Minnesota-Twin Cities Minneapolis MN USA. Program in Genetics & Genome Biology The Hospital for Sick Children Toronto Ontario Canada. Department of Molecular Genetics University of Toronto Toronto Ontario Canada. Donnelly Centre University of Toronto Toronto Ontario Canada. RIKEN Center for Sustainable Resource Science Saitama Japan. Department of Microbiology Immunology and Molecular Genetics University of California Los Angeles Los Angeles CA USA. UCLA Lipidomics Laboratory University of California Los Angeles Los Angeles CA USA. Jonsson Comprehensive Cancer Center David Geffen School of Medicine University of California Los Angeles Los Angeles CA USA. Department of Biology Stanford University Stanford CA USA. sjdixon@stanford.edu.
Small molecules that induce nonapoptotic cell death are of fundamental mechanistic interest and may be useful to treat certain cancers. Here we report that tegavivint, a drug candidate undergoing human clinical trials...
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Tumor-derived interleukin-1 receptor antagonist exhibits immunosuppressive functions and promotes pancreatic cancer
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Cell and Bioscience 2023年 第1期13卷 1页
作者: Fan, Yu-Ching Fong, Yu-Cin Kuo, Chun-Tse Li, Chia-Wei Chen, Wei-Yu Lin, Jian-Da Bürtin, Florian Linnebacher, Michael Bui, Quoc Thang Lee, Kuan-Der Tsai, Yuan-Chin Ph.D. Program for Cancer Molecular Biology and Drug Discovery College of Medical Science and Technology Taipei Medical University and Academia Sinica Taipei Taiwan Graduate Institute of Cancer Biology and Drug Discovery College of Medical Science and Technology Taipei Medical University Taipei Taiwan Institute of Biomedical Sciences Academia Sinica Taipei Taiwan Department of Pathology Wan Fang Hospital Taipei Medical University Taipei Taiwan Department of Pathology School of Medicine College of Medicine Taipei Medical University Taipei Taiwan Department of Biochemical Science and Technology College of Life Science National Taiwan University Taipei City 10617 Taiwan Center for Computational and Systems Biology National Taiwan University Taipei City 10617 Taiwan Clinic of General Surgery University Medical Center Rostock Schillingallee 35 Rostock 18057 Germany Clinic of General Surgery Molecular Oncology and Immunotherapy University Medical Center Rostock Schillingallee 69 Rostock 18057 Germany International Ph.D. Program for Cell Therapy and Regeneration Medicine (IPCTRM) School of Medicine College of Medicine Taipei Medical University Taipei Taiwan Department of Post-Baccalaureate Medicine College of Medicine Natioanl Chung Hsing University Taichung Taiwan Cell Therapy and Regenerative Medicine Center and Comprehensive Cancer Center Taichung Veterans General Hospital Taichung Taiwan Ph.D. Program for Cancer Molecular Biology and Drug Discovery College of Medical Science and Technology Taipei Medical University Taipei Taiwan
Background: Pancreatic ductal adenocarcinoma (PDA) is a pernicious disease characterized by an immunosuppressive milieu that is unresponsive to current immunotherapies. Interleukin-1 receptor antagonist (IL-1Ra) is a ... 详细信息
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Irregular oscillatory-patterns in the early-time region of coherent phonon generation in silicon
arXiv
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arXiv 2017年
作者: Watanabe, Yohei Hino, Ken-Ichi Hase, Muneaki Maeshima, Nobuya Doctoral Program in Materials Science Graduate School of Pure and Applied Sciences University of Tsukuba Tsukuba Ibaraki305-8573 Japan Division of Materials Science Faculty of Pure and Applied Sciences University of Tsukuba Tsukuba305-8573 Japan Center for Computational Sciences University of Tsukuba Tsukuba305-8577 Japan Division of Applied Physics Faculty of Pure and Applied Sciences University of Tsukuba Tsukuba305-8573 Japan
Coherent phonon (CP) generation in an undoped Si crystal is theoretically investigated to shed light on unexplored quantum-mechanical effects in the early-time region immediately after the irradiation of ultrashort la... 详细信息
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Effects of concurrency on epidemic spreading in Markovian temporal networks
arXiv
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arXiv 2022年
作者: Liu, Ruodan Ogura, Masaki Reis, Elohim Fonseca Dos Masuda, Naoki Department of Mathematics State University of New York at Buffalo BuffaloNY14260-2900 United States Graduate School of Information Science and Technology Osaka University Osaka Suita565-0871 Japan Computational and Data-Enabled Sciences and Engineering Program State University of New York at Buffalo BuffaloNY14260-5030 United States Faculty of Science and Engineering Waseda University Tokyo169-8555 Japan
The concurrency of edges, quantified by the number of edges that share a common node at a given time point, may be an important determinant of epidemic processes in temporal networks. We propose theoretically tractabl... 详细信息
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Characterizing the mechanical response of metallic glasses to uniaxial tension using a spring network model
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Physical Review Materials 2023年 第7期7卷 073605-073605页
作者: Aya Nawano Weiwei Jin Jan Schroers Mark D. Shattuck Corey S. O'Hern Department of Mechanical Engineering and Materials Science Yale University New Haven Connecticut 06520 USA Benjamin Levich Institute and Physics Department The City College of New York New York New York 10031 USA Department of Physics Yale University New Haven Connecticut 06520 USA Department of Applied Physics Yale University New Haven Connecticut 06520 USA Graduate Program in Computational Biology and Bioinformatics Yale University New Haven Connecticut 06520 USA
A coarse-grained spring network model is proposed for the prediction of the mechanical response of metallic glasses as a function of the microstructure prior to loading. This model describes the mechanical response of... 详细信息
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Advances of machine learning in molecular modeling and simulation
arXiv
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arXiv 2019年
作者: Haghighatlari, Mojtaba Hachmann, Johannes Department of Chemical and Biological Engineering University at Buffalo State University of New York BuffaloNY14260 United States Computational and Data-Enabled Science and Engineering Graduate Program University at Buffalo State University of New York BuffaloNY14260 United States New York State Center of Excellence in Materials Informatics BuffaloNY14203 United States
In this review, we highlight recent developments in the application of machine learning for molecular modeling and simulation. After giving a brief overview of the foundations, components, and workflow of a typical su... 详细信息
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Metrics for benchmarking and uncertainty quantification: Quality, applicability, and a path to best practices for machine learning in chemistry
arXiv
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arXiv 2020年
作者: Vishwakarma, Gaurav Sonpal, Aditya Hachmann, Johannes Department of Chemical and Biological Engineering University at Buffalo State University of New York BuffaloNY14260 United States Computational and Data-Enabled Science and Engineering Graduate Program University at Buffalo State University of New York BuffaloNY14260 United States New York State Center of Excellence in Materials Informatics BuffaloNY14203 United States
This review aims to draw attention to two issues of concern when we set out to make machine learning work in the chemical and materials domain, i.e., statistical loss function metrics for the validation and benchmarki... 详细信息
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Theoretical Insights into Co2 Electroreduction on Single and Dual Heteroatom-Doped Diamonds
SSRN
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SSRN 2023年
作者: Injongkol, Yuwanda Zhang, Rui-Qin Montoya, Alejandro Rungrotmongkol, Thanyada Jungsuttiwong, Siriporn Center of Excellence in Biocatalyst and Sustainable Biotechnology Department of Biochemistry Faculty of Science Chulalongkorn University Bangkok10330 Thailand City University of Hong Kong Hong Kong School of Chemical and Biomolecular Engineering The University of Sydney SydneyNSW2006 Australia Program in Bioinformatics and Computational Biology Graduate School Chulalongkorn University Bangkok10330 Thailand Department of Chemistry Faculty of Science Ubon Ratchathani University Ubon Ratchathani34190 Thailand
We employed Periodic Density Functional Theory (DFT) to investigate the catalytic activity of single and double dopant of boron (B), nitrogen (N), and phosphorous (P) anchored on diamond surfaces for the CO2 reduction... 详细信息
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Local and global measures of the shear moduli of jammed disk packings
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Physical Review E 2023年 第5期107卷 054903-054903页
作者: Shiyun Zhang Weiwei Jin Dong Wang Ding Xu Jerry Zhang Mark D. Shattuck Corey S. O'Hern Department of Physics University of Science and Technology of China Hefei Anhui 230026 China Department of Mechanical Engineering and Materials Science Yale University New Haven Connecticut 06520 USA Benjamin Levich Institute and Physics Department The City College of New York New York New York 10031 USA Department of Physics Yale University New Haven Connecticut 06520 USA Department of Applied Physics Yale University New Haven Connecticut 06520 USA Graduate Program in Computational Biology and Bioinformatics Yale University New Haven Connecticut 06520 USA
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
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Void distributions reveal structural link between jammed packings and protein cores
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Physical Review E 2019年 第2期99卷 022416-022416页
作者: John D. Treado Zhe Mei Lynne Regan Corey S. O'Hern Department of Mechanical Engineering & Materials Science Yale University New Haven Connecticut 06520 USA Integrated Graduate Program in Physical & Engineering Biology Yale University New Haven Connecticut 06520 USA Department of Chemistry Yale University New Haven Connecticut 06520 USA Department of Molecular Biophysics & Biochemistry Yale University New Haven Connecticut 06520 USA Department of Physics Yale University New Haven Connecticut 06520 USA Department of Applied Physics Yale University New Haven Connecticut 06520 USA Program in Computational Biology and Bioinformatics Yale University New Haven Connecticut 06520 USA
Dense packing of hydrophobic residues in the cores of globular proteins determines their stability. Recently, we have shown that protein cores possess packing fraction ϕ≈0.56, which is the same as dense, random packi... 详细信息
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