A-SIMA/A-MAP: a comprehensive toolkit for NMR-based metabolomics analysis.

Introduction: Metabolomics is the comprehensive study of small molecules in biological systems. It has recently garnered attention for its wide variety of applications such as diseases, drug treatments, agriculture, and more. As the interest in metabolomics grow, meeting the demands of cutting-edge research requires software tools that not only advance analytical capabilities, but also prioritize user-friendly features.

REDEN: Interactive multi-fitting decomposition-based NMR peak picking assistant.

We present a new program REDEN (Residual Decomposition of NMR peaks) designed to perform identification of peaks in NMR spectra. This integrated, cross-platform, open-source software visually assists with explicit peak picking through decomposition of NMR peaks on the frequency domain data. It provides a distinctive interactive workflow with iPick due to its integration with the POKY suite, providing users with a seamless and efficient experience.

A toolset for the solid-state NMR-based 3D structure calculation of proteins.

Proteins are the building blocks of life. The shape of the protein determines its functionality. This understanding of the 3D structure of proteins has applications in study of diseases, medicine, body functions, and other aspects of life.

POKY: a software suite for multidimensional NMR and 3D structure calculation of biomolecules.

Summary: The need for an efficient and cost-effective method is compelling in biomolecular NMR. To tackle this problem, we have developed the Poky suite, the revolutionized platform with boundless possibilities for advancing research and technology development in signal detection, resonance assignment, structure calculation and relaxation studies with the help of many automation and user interface tools. This software is extensible and scalable by scripting and batching as well as providing modern graphical user interfaces and a diverse range of modules right out of the box.