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Journal of Computer-Aided Molecular Design
|
April 8, 2019
BCL::Mol2D-a robust atom environment descriptor for QSAR modeling and lead optimization
Oanh Vu, Jeffrey Mendenhall, Doaa Altarawy, et al.
Journal of Computational Biology : a Journal of Computational Molecular Cell Biology
|
March 16, 2017
PEAK: Integrating Curated and Noisy Prior Knowledge in Gene Regulatory Network Inference
Doaa Altarawy, Fatma-Elzahraa Eid, Lenwood S Heath
Journal of Chemical Theory and Computation
|
July 17, 2019
Janus: An Extensible Open-Source Software Package for Adaptive QM/MM Methods
Boyi Zhang, Doaa Altarawy, Taylor Barnes, et al.
Journal of Chemical Information and Modeling
|
October 11, 2019
New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community
Benjamin P Pritchard, Doaa Altarawy, Brett Didier, et al.
F1000Research
|
May 23, 2017
Expresso: A database and web server for exploring the interaction of transcription factors and their target genes in <i>Arabidopsis thaliana</i> using ChIP-Seq peak data
Delasa Aghamirzaie, Karthik Raja Velmurugan, Shuchi Wu, et al.
Plos One
|
December 28, 2021
Developmental gene regulatory network connections predicted by machine learning from gene expression data alone
Jingyi Zhang, Farhan Ibrahim, Emily Najmulski, et al.
Journal of Chemical Theory and Computation
|
July 9, 2019
PES-Learn: An Open-Source Software Package for the Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces
Adam S Abbott, Justin M Turney, Boyi Zhang, et al.
The Journal of Chemical Physics
|
November 17, 2018
Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science
Anna Krylov, Theresa L Windus, Taylor Barnes, et al.
The Journal of Chemical Physics
|
December 2, 2021
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs
Daniel G A Smith, Annabelle T Lolinco, Zachary L Glick, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Journal of Computer-Aided Molecular Design
|
April 8, 2019
BCL::Mol2D-a robust atom environment descriptor for QSAR modeling and lead optimization
Oanh Vu, Jeffrey Mendenhall, Doaa Altarawy, et al.
Journal of Computational Biology : a Journal of Computational Molecular Cell Biology
|
March 16, 2017
PEAK: Integrating Curated and Noisy Prior Knowledge in Gene Regulatory Network Inference
Doaa Altarawy, Fatma-Elzahraa Eid, Lenwood S Heath
Journal of Chemical Theory and Computation
|
July 17, 2019
Janus: An Extensible Open-Source Software Package for Adaptive QM/MM Methods
Boyi Zhang, Doaa Altarawy, Taylor Barnes, et al.
Journal of Chemical Information and Modeling
|
October 11, 2019
New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community
Benjamin P Pritchard, Doaa Altarawy, Brett Didier, et al.
F1000Research
|
May 23, 2017
Expresso: A database and web server for exploring the interaction of transcription factors and their target genes in <i>Arabidopsis thaliana</i> using ChIP-Seq peak data
Delasa Aghamirzaie, Karthik Raja Velmurugan, Shuchi Wu, et al.
Plos One
|
December 28, 2021
Developmental gene regulatory network connections predicted by machine learning from gene expression data alone
Jingyi Zhang, Farhan Ibrahim, Emily Najmulski, et al.
Journal of Chemical Theory and Computation
|
July 9, 2019
PES-Learn: An Open-Source Software Package for the Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces
Adam S Abbott, Justin M Turney, Boyi Zhang, et al.
The Journal of Chemical Physics
|
November 17, 2018
Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science
Anna Krylov, Theresa L Windus, Taylor Barnes, et al.
The Journal of Chemical Physics
|
December 2, 2021
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs
Daniel G A Smith, Annabelle T Lolinco, Zachary L Glick, et al.
Page
of 1