Nature Computational Science is a multidisciplinary journal that focuses on the development and use of computational techniques and mathematical models, as well as their application to address complex problems across a range of scientific disciplines. The journal publishes both fundamental and applied research, from groundbreaking algorithms, tools and frameworks that notably help to advance scientific research, to methodologies that use computing capabilities in novel ways to find new insights and solve challenging real-world problems. By doing so, the journal creates a unique environment to bring together different disciplines to discuss the latest advances in computational science. Disciplines covered by Nature Computational Science include, but are not limited to: Bioinformatics and Systems Biology Mathematical Biology Computational Epidemiology Computational Neuroscience Computational Chemistry Computer-Aided Drug Design Geosciences, Climate Sciences and Environmental Sciences Computational/Applied Physics and Cosmology Emerging Computing Platforms (including quantum computing and neuromorphic computing) Applied Mathematics Computational Materials Science Computational Social Science Urban Science Nature Computational Science is committed to publishing significant, high-quality research through a fair and rigorous peer-review process that is overseen by a team of full-time professional editors. Nature Computational Science is a new online-only journal that is interested in both fundamental and applied research in the growing area of computational science.

Nature Computational Science (NCS) is :

International, Peer-Reviewed, Open Access, Refereed, Multidisciplinary , Online Monthly Journal

UGC Approved, ISSN Approved: P-ISSN , E-ISSN - 2662-8457, Established in - 2021, Impact Factor

Not Provide Crossref DOI

Indexed in Scopus, WoS

Not indexed in DOAJ, PubMed, UGC CARE

Research Article

Arne Schneuing

December, 2024

Structure-based drug design with equivariant diffusion models

Structure-based drug design (SBDD) aims to design small-molecule ligands that bind with high affinity and specificity to pre-determined protein targets. Generative SBDD methods leverage stru...

Research Article

Kieran Didi

May, 2024

MISATO: machine learning dataset of protein–ligand complexes for structure-based drug discovery

Large language models have greatly enhanced our ability to understand biology and chemistry, yet robust methods for structure-based drug discovery, quantum chemistry and structural biology a...

Nature Computational Science (NCS)

Journal Descriptions

Nature Computational Science (NCS) is :

International, Peer-Reviewed, Open Access, Refereed, Multidisciplinary , Online Monthly Journal

UGC Approved, ISSN Approved: P-ISSN , E-ISSN - 2662-8457, Established in - 2021, Impact Factor

Not Provide Crossref DOI

Indexed in Scopus, WoS

Not indexed in DOAJ, PubMed, UGC CARE

Indexing

Scopus

WoS

Scilit

ScienceGate

ISSN Portal

Scite

Publications of NCS

Structure-based drug design with equivariant diffusion models

MISATO: machine learning dataset of protein–ligand complexes for structure-based drug discovery

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