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Research article

First published 2005-7

New Assessment of a Structural Alphabet

Alexandre G. de Brevern

In Silico Biology

Open access

Research article

First published 2022

Computational Structural and Functional Analyses of ORF10 in Novel Coronavirus SARS-CoV-2 Variants to Understand Evolutionary Dynamics

Seema Mishra

Evolutionary Bioinformatics

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Research article

First published 2019-5

Accelerating many-nucleon basis generation for high performance computing enabled ab initio nuclear structure studies

Daniel Langr, Tomáš Dytrych, Kristina D Launey [...]

The International Journal of High Performance Computing Applications

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Research article

First published 2009-5

Molecular electric properties of nitrogen heterocycles

F. Safinejad, M. Asghari-Khiavi

Journal of Computational Methods in Sciences and Engineering

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Letter

First published 1997-10

Letter: Mechanism of the Reaction C 2 H 5 + → C 2 H 3 + + H 2

Einar Uggerud

European Journal of Mass Spectrometry

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Research article

First published 2023-11

TwoFold: Highly accurate structure and affinity prediction for protein-ligand complexes from sequences

Darren J Hsu, Hao Lu, Aditya Kashi [...]

The International Journal of High Performance Computing Applications

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Research article

First published 2011-07

Ab Initio Modeling Led Annotation Suggests Nucleic Acid Binding Function for Many DUFs

Daniel J. Rigden

OMICS: A Journal of Integrative Biology

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Research article

First published

Extended HP Model for Protein Structure Prediction

Tamjidul Hoque, Madhu Chetty, Abdul Sattar

Journal of Computational Biology

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Research article

First published 2005-11

A Partitioner-Centric Model for Structured Adaptive Mesh Refinement Partitioning Trade-Off Optimization: Part I

Johan Steensland, Jaideep Ray

The International Journal of High Performance Computing Applications

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Research article

First published 2007-9

Comparison of van der Waals coefficient C 6 of sodium clusters obtained via spherical jellium background model and all-electron ab initio method

Arup Banerjee, Manoj K. Harbola

Journal of Computational Methods in Sciences and Engineering

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