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A guide to reverse metabolomics – a framework for big data discovery strategy.

Vincent Charron-Lamoureux, Helena Mannochio-Russo, Santosh Lamichhane, Shipei Xing, Abubaker Patan, Paulo Wender Portal Gomes, Prajit Rajkumar, Victoria Deleray, Andrés Mauricio Caraballo-Rodriguez, Kee Voon Chua, Lye Siang Lee, Zhao Liu, Jianhong Ching, Mingxun Wang, Pieter C. Dorrestein

Version 2 posted 20 December 2024

156

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Biological and Medicinal Chemistry

Working Paper

A Multi-Pronged Approach Targeting SARS-CoV-2 Proteins Using Ultra-Large Virtual Screening

Christoph Gorgulla, Krishna PadmanabhaDas, Kendra E. Leigh, Marco Cespugli, Patrick D. Fischer, Zi-Fu Wang, Guilhem Tesseyre, Shreya Pandita, Alec Shnapir, Anthony Calderaio, Colin Hutcheson, Minko Gechev, Alexander Rose, Noam Lewis, Erez Yaffe, Roni Luxenburg, Henry D. Herce, Vedat Durmaz, Thanos D. Halazonetis, Konstantin Fackeldey, Justin J. Patten, Alexander Chuprina, Igor Dziuba, Alla Plekhova, Yurii Moroz, Dmytro Radchenko, Olga Tarkhanova, Irina Yavnyuk, Christian C. Gruber, Ryan Yust, Dave Payne, Anders M. Näär, Mark N. Namchuk, Robert A. Davey, Gerhard Wagner, Jamie Kinney, Haribabu Arthanari

Version 1 posted 24 July 2020

1,842

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Analytical Chemistry

Working Paper

Advanced Bioinformatics Rapidly Identifies Existing Therapeutics for Patients with Coronavirus Disease - 2019 (COVID-19)

Jason Kim, Jenny zhang, Yoonjeong Cha, Sarah Kolitz, Jason Funt, Renan Escalante Chong, Scott Barrett, Ben Zeskind, Rebecca Kusko, Howard Kaufman

Version 1 posted 27 March 2020

1,946

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6

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Theoretical and Computational Chemistry

Working Paper

Deep Protein-Ligand Binding Prediction Using Unsupervised Learned Representations

Paul Kim, Robin Winter, Djork-Arné Clevert

Version 1 posted 08 January 2020

1,780

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1

Citations

Biological and Medicinal Chemistry

Working Paper

Identification of Key Proteins Involved in Axon Guidance Related Disorders: A Systems Biology Approach

Ishtiaque Ahammad

Version 2 posted 17 April 2018

986

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Theoretical and Computational Chemistry

Review

Designing synthetic communities with organism-free modular computational models

Anna Matuszyńska, Oliver Ebenhöh, Matias D. Zurbriggen, Daniel C. Ducat, Ilka M. Axmann

Version 1 posted 24 March 2022

391

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Theoretical and Computational Chemistry

Review

Predicting SARS-CoV-2 Protein Interactions: Insights from Machine Learning

Nihal Dadheech

Version 1 posted 29 September 2023

200

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Biological and Medicinal Chemistry

Working Paper

Use of Marine biotoxins to modulate the tyrosine kinase domain of the human epidermal growth factor receptor

Charli Deepak Arulanandam, Ramesh Dharmara, Prathiviraj Ragothaman, Samuel Gnana Prakash Vincent

Version 1 posted 01 November 2021

200

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1

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8 results in computational biology in Keywords: computational biology

A guide to reverse metabolomics – a framework for big data discovery strategy.

A Multi-Pronged Approach Targeting SARS-CoV-2 Proteins Using Ultra-Large Virtual Screening

Advanced Bioinformatics Rapidly Identifies Existing Therapeutics for Patients with Coronavirus Disease - 2019 (COVID-19)

Deep Protein-Ligand Binding Prediction Using Unsupervised Learned Representations

Identification of Key Proteins Involved in Axon Guidance Related Disorders: A Systems Biology Approach

Designing synthetic communities with organism-free modular computational models

Predicting SARS-CoV-2 Protein Interactions: Insights from Machine Learning

Use of Marine biotoxins to modulate the tyrosine kinase domain of the human epidermal growth factor receptor

8 results in Keywords: computational biology