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Search Results for: computational chemistry

Total Results Found: 149

NCI Advanced Biomedical Computational Science (ABCS)
Frederick, MD

Core Facility

The Advanced Biomedical Computational Sciences (ABCS) group provides technology development, scientific consultation, collaboration and training, research, software development, and high-performance computing support. ABCS encompasses specialized groups focusing on machine learning applied to the interpretation of 2 Read More...

NIH Biowulf Computational Cluster
Bethesda, MD

Trans NIH Facility

The NIH Biowulf Cluster provides researchers with a world-class system to assist in solving complex biomedical problems as diverse as gene variation in worldwide human populations, deep learning to model protein structures, and PET brain Read More...

NCI Medicinal Chemistry Accelerator (MCA)
Frederick, MD

Collaborative

The Medicinal Chemistry Accelerator (MCA) is a collaborative CCR resource that supports investigators in developing small molecule inhibitors for anticancer drug candidates. While CCR and NCATS have infrastructure to identify initial “hits” through high-throughput screening, Read More...

Chemistry and Synthesis Center
Rockville, MD

Core Facility

The Chemistry and Synthesis Center (CSC) of the National Heart, Lung, and Blood Institute (NHLBI) provides IRP scientists with targeted imaging probes and chemical tools that help accelerate cell-based assays, in vivo imaging studies, and Read More...

September 2024 Newsletter

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CREx Monthly Newsletter Learn about the NIH Collaborative Research Exchange (CREx), Core Facilities, Webinars, & More NIH Research Festival The NIH Research Festival highlights the groundbreaking science and the vibrant NIH community driving our Read More...

Chemical Biology Laboratory (CBL): Chemical Synthesis Group
Frederick, MD

Collaborative

The Chemical Synthesis Group is a component of the Chemical Biology Laboratory. This facility provides synthetic chemistry resources and expertise to the NCI Intramural community.The facility’s capabilities include: Providing expertise, consultation, and experience Read More...

Statistical Support at ABCS
Frederick, MD

Core Facility

The centrally funded Statistics team within the Advanced Biomedical Computational Science group at the Frederick National Lab provides statistical consultation and data analysis support for NCI laboratories. We have broad-range expertise in biomedically relevant areas Read More...

Bioinformatics Resources

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Discover expert help with analysis, processing applications, and licensed software packages.

Spotlight Seminar

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“Metabolomics Research in the Intramural Research Program via the Trans-NIH Metabolomics Core and NIEHS Metabolomics Core Facility” Alan K. Jarmusch, Ph.D., Director, Metabolomics Core Facility Core, NIEHS. “Shared Chemistries of Disease: Hypothesis-driven metabolomic and Read More...

October 2024 Newsletter

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CREx Monthly Newsletter Learn about the NIH Collaborative Research Exchange (CREx), Core Facilities, Webinars, & More New NIH Resource Spotlight The NIH Lab Managers Working Group have developed a new NIH-wide database of cold Read More...

NCI Synthetic Biologics Core
Frederick, MD

Core Facility

The research conducted within the Synthetic Biologics Core (SBC) Facility has a dual role: Generate chemical biology tools and drug candidates for molecular targets identified by NCI research groups, Develop novel effective methods and tools Read More...

Center for Structural Biology: Biophysics Resource
Frederick, MD

Core Facility

The Biophysics Resource (BR) was established in January 2001. Our mission is to provide CCR investigators with access to both the latest instrumentation and expertise in characterizing the biophysical aspects of systems under structural investigation. The Read More...

September Newsletter 2022 (2)

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September 8, 2022 crex.nih.gov CREx Monthly Newsletter Learn about the NIH Collaborative Research Exchange (CREx), Core Facilities, Webinars, & More Science & Technology Seminars and Training Events Upcoming Seminars and Educational Opportunities The following Read More...

NIH Clinical Center Department of Laboratory Medicine
Bethesda, MD

Trans NIH Facility

The Department of Laboratory Medicine provides state-of-the-art laboratory testing in support of Clinical Center patient care and will serve as a center of excellence in research and training in laboratory medicine, particularly in areas which Read More...

October Newsletter 2022-3

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October 6, 2022 crex.nih.gov CREx Monthly Newsletter Learn about the NIH Collaborative Research Exchange (CREx), Core Facilities, Webinars, & More Science & Technology Seminars and Training Events Upcoming Seminars and Educational Opportunities The following Read More...

Center for Inherited Disease Research (CIDR)
Bethesda, MD

Trans NIH Facility

The Center for Inherited Disease Research (CIDR)'s  mission is to support the genetics community by providing high-quality, cutting-edge genomics services and technologies in order to expand our understanding of disease and catalyze discoveries that Read More...

DTP Repository of Chemical Agents
Rockville, MD

Repositories

DTP maintains a repository of synthetic compounds and pure natural products that are available to investigators for non-clinical research purposes. The Repository collection is a uniquely diverse set of more than 200,000 compounds that have been Read More...

Molecular Modeling Core (Laboratory of Cell Biology)
Bethesda, MD

Collaborative

The CCR Molecular Modeling Core, under the direction of Dr. Stewart Durell, was established to provide a convenient way for experimentalists to take advantage of molecular modeling and computational biology. In the framework of consultations, Read More...

NIH Intramural CryoEM Consortium (NICE)
Bethesda, MD

Trans NIH Facility

NIH Intramural CryoEM Consortium (NICE) serves intramural investigators in all NIH IC’s. NICE provides access to state-of-the-art Titan Krios cryo-electron microscopes for atomic-resolution structure determination of protein, macromolecular complexes, membrane receptors, cellular organelles, and Read More...

All Scientific Resources

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Cores & Facilities From centralized laboratories to collaborative resources and technologies available to CCR Investigators. NCI Cores Centralized laboratories providing broad access to cutting-edge technologies and specialized expertise. Browse NCI Cores Collaborative Resources are technologies and Read More...

NCI Cloud Resources
Rockville, MD

Repositories

The NCI Cloud Resources are components of the NCI Cancer Research Data Commons (CRDC) that bring data and computational power together to enable cancer research and discovery. These cloud-based platforms eliminate the need for researchers Read More...

June 2024 Newsletter

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CREx Monthly Newsletter Learn about the NIH Collaborative Research Exchange (CREx), Core Facilities, Webinars, & More New CREx Program Manager The CREx Team is happy to announce Deepika Velampati as the new CREx Program Read More...

May 2024 Newsletter

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CREx Monthly Newsletter Learn about the NIH Collaborative Research Exchange (CREx), Core Facilities, Webinars, & More NIH Intramural Core Resources NHGRI Flow Cytometry Core The Core performs high quality single cell analysis through the Read More...

July 2024 Newsletter

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CREx Monthly Newsletter Learn about the NIH Collaborative Research Exchange (CREx), Core Facilities, Webinars, & More New CREx User Survey The CREx Team is carrying out a CREx User Survey. We would greatly appreciate Read More...

Technology Video Library

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The OSTR offers cutting-edge technology platforms to the CCR scientific community through centralized facilities. The videos accessed through this page are designed to introduce the various scientific methodologies OSTR makes available through the cores on Read More...

Xenium Spatial Profiling Technology

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What is Xenium? Xenium is a high-resolution, imaging-based in situ spatial profiling technology from 10x Genomics that allows for simultaneous expression analysis of RNA targets (currently in range of 100’s) within the same tissue section. Read More...

April 2023 Newsletter

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CREx Monthly Newsletter Learn about the NIH Collaborative Research Exchange (CREx), Core Facilities, Webinars, & More New Resources on CREx Interested in imaging large scale biological samples?  Volume electron microscopy allows for Read More...

August 2022 Newsletter

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CREx News & Updates August 2022 Learn about the NIH Collaborative Research Exchange (CREx), Core Facilities, Webinars, & More Site Spotlight NCATS Functional Genomics Laboratory (FGL) FGL is designed to help NIH Investigators use the latest Read More...

NHLBI Biophysics Core
Bethesda, MD

Core Facility

The Biophysics Core’s mission is to provide support in the study of macromolecular interactions, dynamics, and stability by offering consultations, training, professional collaborations, and instrument access. General Services Multi-technique molecular interaction studies, Kinetic and Read More...

CCR Volume Electron Microscopy Core(CVEMC)
Frederick, MD

Collaborative

CCR VOLUME Electron Microscopy Core (CVEMC),  formerly known as volume Electron Microscopy (vEM), aims to develop new techniques in volume electron microscopy (vEM) and, in collaboration with CCR Investigators, apply these techniques to research cell Read More...

NCI Proteomic Data Commons (PDC)
Rockville, MD

Repositories

Proteomic Data Common (PDC) represents the NCI’s largest public repository of proteogenomic comprehensive tumor datasets, essentially a Proteogenomic Cancer Atlas. It was developed to advance our understanding of how proteins help shape the risk, Read More...

August 2021

Web Page

CREx News & Updates August 2021 Learn about the NIH Collaborative Research Exchange (CREx), Core Facilities, Webinars, & More NIH Collaborative Research Exchange (CREx) News Site Spotlight FACILITY HIGHLIGHTS Learn more about services from the NHLBI Read More...

CCR Genomics Core
Bethesda, MD

Core Facility

The CCR Genomics Core is located in Building 41 on the NIH Bethesda campus. The primary goal of the Core is to provide investigators from CCR/NCI and other NIH Institutes access to genomic technologies and Read More...

November 2024 Newsletter

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CREx Monthly Newsletter Learn about the NIH Collaborative Research Exchange (CREx), Core Facilities, Webinars, & More New NIH Resource Resources Derive Greater Insights and Accelerate your Research Using Bioinformatic Tools! CREx is an NIH Read More...

December 2024 Newsletter

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CREx Monthly Newsletter Learn about the NIH Collaborative Research Exchange (CREx), Core Facilities, Webinars, & More New NIH Resource Resources Advance your research with the NIH Mouse Imaging Facility (MIF) The NIH Mouse Imaging Read More...

September 2021

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CREx News & Updates September 2021 Learn about the NIH Collaborative Research Exchange (CREx), Core Facilities, Webinars, & More NIH Collaborative Research Exchange (CREx) News Site Spotlight FACILITY HIGLIGHTS Learn more about services from the CCR Read More...

NCI Genomic Data Commons (GDC)
Bethesda, MD

Repositories

The NCI Genomic Data Commons (GDC) was established by the NCI Center for Cancer Genomics (CCG) to support the receipt, harmonization, distribution, and analysis of genomic and clinical data from cancer research programs. The GDC Read More...

November 2021

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CREx News & Updates November 2021 Learn about the NIH Collaborative Research Exchange (CREx), Core Facilities, Webinars, & More Site Spotlight FACILITY HIGLIGHTS Learn more about services from the NINDS Quantitative Magnetic Resonance Imaging Core. NINDS Read More...

NCI SAXS Facility
Frederick, MD

Collaborative

In order to meet increasing demands from both NIH intramural and extramural communities for access to a small angle X-ray scattering (SAXS) resource, the Center for Cancer Research (CCR) under the leadership of Drs. Jeffrey Read More...

The Advanced Biomedical Computational Science (ABCS) Group

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Bioinformatics

The Advanced Biomedical Computational Science (ABCS) group focuses on applications of bioinformatics, computational and data science, and artificial intelligence to support NCI researchers. ABCS provides: • Subject matter expertise in genomics, proteomics, and imaging. • Machine learning/ Read More...

Computational Tools for Spatial Metabolomics

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Bioinformatics

07/07/2025 - Dr. Theodore Alexandrov lead a multidi ciplinary team of cienti t and oftware engineer dedicated to developing cutting-edge technologie for patial and ingle-cell metabolomic (http ://ateam.uc d.edu). They have developed META PACE, Read More...

Contact Us

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Confocal

Our Team Tatiana S. Karpova Ph.D.Core Headkarpovat@nih.govBuilding 41, Room C615240-760-6637 David A. Ball Ph.D.Core Biologistballa@nih.govBuilding 41, Room B114D240-760-6577 Mohamadreza Fazel, Ph.D.Core Biologistmohamadreza. Read More...

February Data Sharing and Reuse Seminar

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Bioinformatics

02/11/2022 - The seminar is open to the public and registration is required each month. Dr. Hunter Mosely plans to discuss the richness of open data resources in biology and how they can support machine learning Read More...

Publications

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Confocal

2024 Coutinho, L. L., Femino, E. L., Gonzalez, A. L., Moffat, R. L., Heinz, W. F., Cheng, R. Y. S., Lockett, S. J., Rangel, M. C., Ridnour, L. A. & Wink, D. A. NOS2 and Read More...

What is Data Science?

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Bioinformatics

01/28/2026 - Learn about Data Science from Dr. Mark Jensen, Director of Data Science, Center for Operations and Technical Support (CTOS), Bioinformatics and Computational Science (BACS), Leidos Biomedical Research, Inc.

Generative AI, it's all about Embeddings

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Bioinformatics

07/09/2025 - From image analy i to federated learning and multimodal modeling, generative AI can be u ed to tudy ob ervational ucce ion acro cale and data type . At DCEG' Data cience and Engineering Re Read More...

From Cell Atlases to Medicines with AI

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Bioinformatics

03/27/2025 - Please note: Registration is required to get the Meeting Link for this event. Please pre-register. Aviv Regev is head of Genentech Research and Early Development. Formerly, Regev was Chair of the Faculty and Core Read More...

Bioinformatics Support

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Bioinformatics

Bioinformatics support to CCR investigators is provided by: CCR Collaborative Bioinformatics Resource (CCBR) The CCR Collaborative Bioinformatics Resource (CCBR) is a resource group which provides a mechanism for CCR researchers to obtain many different types Read More...

Getting Started with scRNA-Seq Seminar Series: Contacts

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Bioinformatics

Who can you contact with questions? NCI CCR Single Cell Analysis Facility (SCAF) provides single cell support to NCI-CCR Researchers. NCI CCR Bioinformatics Training and Education Program (BTEP) provides bioinformatics training support. Contact BTEP via Read More...

AI in Personalized Immunotherapies

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Bioinformatics

05/15/2024 - To register to attend, you must log in to your SITC Cancer Immunotherapy CONNECT account. Don’t have an account?  Create a free one . Join Dr. Karchin of the Johns Read More...

Personnel

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CRTP

No summary available.

Personnel

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Confocal

Gianluca Pegoraro, PhD gianluca.pegoraro@nih.gov Facility Head 240-760-6696 Bldg. 41, Room B909 Dr. Pegoraro received his Ph.D. in Molecular Genetics from the International School of Superior Studies in Trieste, Italy in 2004. After Read More...

Past Seminars

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Confocal

2024 Date: Tuesday, October 15, 2024 Time and Location: 11 am EST, ZOOM (INVITATION BY LMIG LIST SERVER) Speaker: Dr. Diego Presman (U Buenos Aires) Title: “Insights on Glucocorticoid Receptor Activity Through Live Cell Imaging” Summary: Eucaryotic transcription factors ( Read More...

Digital Twins + Theranostics

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Bioinformatics

01/14/2026 - During this event, Dr. Emilie Roncali, an associate professor at UC Davis, is tackling an intersection of two critical data science concepts in cancer research: theranostics and digital twins. Dr. Roncali will give you Read More...

Introduction to Unix and Biowulf

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Bioinformatics

08/14/2025 - Biowulf is the NIH Unix-based high-performance computer (HPC). Unix is a command driven computer operating system. Biowulf has more computational power than the average laptop, which makes it ideal for analyzing Next Generation Sequencing ( Read More...

Pathway Analysis

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Bioinformatics

06/24/2025 - Tran late gene li t into biological in ight u ing pathway enrichment tool . Thi training will provide an overview the current tatu of pathway tool , with focu on oftware available to NIH community.  Read More...

Next Generation Precision Oncology - It's High Time

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Bioinformatics

04/23/2025 - Dr. Ruppin's research is focused on multi-disciplinary, algorithmic, computationally driven analysis of large-scale biomedical omics and clinical data, with an emphasis on AI and machine / deep learning approaches. Overall, it centers on three Read More...

Mapping Tumor Heterogeneity Across Space and Time

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Bioinformatics

03/25/2025 - Dr. Ben Raphael will describe computational methods developed in his lab to analyze large-scale biological data related to cancer evolution, genetic variants, and structural variation in cancer genomes. He’ll share combinatorial and statistical Read More...

Contacts

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Bioinformatics

General questions or comments about the BTEP program or classes should be addressed to: NCIBTEP@nih.gov Amy Stonelake, Ph.D . BTEP Program Manager and Bioinformatics Analyst amy.stonelake@nih.gov I am an experienced Read More...

Clustering with R and RStudio

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Bioinformatics

03/12/2025 - Clustering is one of the fundamental unsupervised machine learning algorithms. It is often used to group quantitative proteomic or RNAseq expression data to suggest sub-types of a particular cancer. This presentation covers building a Read More...

Introduction to Clustering

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Bioinformatics

03/11/2025 - Clustering is an unsupervised machine learning technique that groups together similar objects (samples, individuals, etc.). Determining the similarity between objects requires a distance metric. This talk provides a brief overview of distance metrics, hierarchical ( Read More...

Survival Analysis in R Using the survival Package

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Bioinformatics

01/15/2025 - This session of the BTEP Coding Club will demonstrate how to use the R package “survival” to conduct a survival analysis of an example dataset.  Senior Programmer and Analyst, Duncan Donohue, PhD, will cover Read More...

Introduction to Survival Analysis

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Bioinformatics

01/14/2025 - In this talk, we will cover the basics of survival analysis as a statistical methodology developed for censored data. Special emphasis will be on visualizing survival data, comparing survival-time distributions for subject groups, and Read More...

Statistical Considerations for Animal Model Experiments

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Bioinformatics

11/12/2024 - We will discuss statistical considerations in planning, executing, and interpreting experiments using animals. Topics will include interpreting minimally powered pilot studies, dealing with complex time series, and maximizing knowledge gain from limited resources. This Read More...

The Cancer Digital Slide Archive (CDSA) webinar

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Bioinformatics

10/29/2024 - In this presentation, you will get an overview of the Cancer Digital Slide Archive (CDSA) platform. CDSA is an open source, web-based platform for storage, visualization, and management of digitized whole slide images.& Read More...

Introduction to linear mixed-effects modeling

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Bioinformatics

08/13/2024 - This session will cover the basics of linear mixed-effects modeling as a method of regression analysis for clustered data. Special emphasis will be on the ideas behind random-intercepts and random-slopes modeling, and the discussion Read More...

Biomedical Data Fusion Lab

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Bioinformatics

07/17/2024 - Dear Colleagues,   Please join us on Wednesday, July 17, 2024, when Dr. Olivier Gevaert from Stanford University will discuss leveraging data at different scales for personalized diagnosis, prognosis, and therapy in the fields of Read More...

Exome Sequencing Data Analysis

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Bioinformatics

07/09/2024 - Galaxy is a scientific workflow, data integration, data analysis, and publishing platform that makes computational biology accessible to research scientists that do not have computer programming experience. This workshop will cover exome sequencing data Read More...

Introduction to Statistical Resampling Methods

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Bioinformatics

06/11/2024 - This talk will cover the basics of statistical resampling methods such as bootstrap, Monte Carlo, and permutations for estimating parameters and testing hypotheses.  We will discuss when you might want to use Read More...

ChIP Sequencing Data Analysis

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Bioinformatics

06/04/2024 - Galaxy is a scientific workflow, data integration, data analysis, and publishing platform that makes computational biology accessible to research scientists that do not have computer programming experience. This training will introduce ChIP sequencing data Read More...

Multimodal Data Integration: From Biomarkers to Mechanisms

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Bioinformatics

05/23/2024 - An exciting opportunity at the intersection of the biomedical sciences and machine learning stems from the growing availability of large-scale multi-modal data (imaging-based and sequencing-based, observational and perturbational, at the single-cell level, tissue-level, and Read More...

Effect Size, p-value, and Accuracy

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Bioinformatics

05/14/2024 - This presentation will explain the difference between the mean and standard deviation of a set of values and the standard error of the mean. The parameters involved in comparing two normally distributed populations relative Read More...

RNA-Seq Analysis Training

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Bioinformatics

05/07/2024 - Galaxy is a scientific workflow, data integration, data analysis, and publishing platform that makes computational biology accessible to research scientists that do not have computer programming experience. This workshop will introduce RNA-seq data analysis Read More...

Organizing and documenting NGS pipelines on GitHub

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Bioinformatics

04/16/2024 - GitHub is a powerful platform for tracking, sharing, and collaborating on software projects of all kinds. Whether you’re a bioinformatics analyst, a software engineer, or a biologist who sometimes codes, GitHub Read More...

Parametric vs. non-parametric statistics

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Bioinformatics

04/09/2024 - In this talk, we will cover what differentiates parametric and non-parametric statistics, tests/methods of both types for different data scenarios, when to use one vs. the other, and tradeoffs/pitfalls of each. This Read More...

Bioinformatics for Beginners 2022: B4b 2022 rnaseq jw

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Bioinformatics

This page uses content directly from the Biostar Handbook by Istvan Albert. Obtain RNA-seq test data. The test data consists of two commercially available RNA samples: Universal Human Reference (UHR) and Human Brain Reference (HBR) . Read More...

NIH Artificial Intelligence Symposium

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Bioinformatics

05/16/2025 - This one-day in-person NIH AI Symposium will bring together researchers from a broad range of disciplines to share their AI-related research, with the goal of disseminating the newest AI research, providing an opportunity to Read More...

Bulletins

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Bioinformatics

This archive contains past and present issues of the  BTEP BioInformatics Bulletin. The BTEP Bioinformatics Bulletin features select upcoming bioinformatics events offered across NIH and is distributed monthly via email to the Center Read More...

NIH HPC OnDemand

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Bioinformatics

Recently, the NIH HPC Team has provided on demand access to HPC resources via web browser through integration of Open OnDemand , an open source project supporting "nearly 400 HPC centers around the world" . This Read More...

Spatial Control of the Immune Response

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Bioinformatics

01/21/2025 - About the Speaker: Hari completed his PhD in Cell Biology at the University of Toronto, where he used single-molecule imaging techniques to reveal how multimolecular interactions govern early signaling events in individual immune cells. Read More...

BTEP Video Archive of Past Classes

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Bioinformatics

Listed below are the video recordings of past BTEP events (classes, seminars, workshops). Videos are hosted on various servers and may play slightly differently. Some videos may be downloaded for local viewing. Recorded Videos of Read More...

NIH Artificial Intelligence Symposium

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Bioinformatics

05/17/2024 - The NIH Artificial Intelligence (AI) Symposium will take place on Friday, May 17th, 2024, in Masur Auditorium in Building 10 on the Bethesda NIH campus. This event is open to all NIH members - registration and Read More...