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computational tools

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3 results in Keywords: computational tools

Theoretical and Computational Chemistry

Computational Studies on the Functional and Structural Impact of Pathogenic Mutations in Enzymes

Upeksha C. Dissanayake, Arkanil Roy, Yazdan Maghsoud, Sarthi Polara, Tanay Debnath, G. Andrés Cisneros

Version 1 posted 12 November 2024

236

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Biological and Medicinal Chemistry

MPACT: An Advanced Informatics Tool for Metabolomics and Data Visualization of Specialized Metabolites from Complex Microbial Samples

Robert Samples, Sara Puckett, Marcy Balunas

Version 1 posted 23 May 2022

677

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1

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Analytical Chemistry

hplc-py: A Python Package For Rapid Peak Quantification in Complex Chromatograms

Griffin Chure, Jonas Cremer

Version 1 posted 09 October 2023

595

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