Joseph A Morrone

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 10

Top Venues

Journal of chemical information and modeling

Briefings in bioinformatics

Journal of chemical theory and computation

The journal of physical chemistry. B

IBM Thomas J Watson Research Center

This page only lists publications with an associated author ORCID identifier.

Affiliation History

IBM Thomas J Watson Research Center Apr 25 2016

United States

Research Staff Member :: Healthcare & Life Sciences Research

Publications

Jeffrey K Weber, Joseph A Morrone, Seung-Gu Kang, Leili Zhang, Lijun Lang, Diego Chowell, Chirag Krishna, Tien Huynh, Prerana Parthasarathy, Binquan Luan, Tyler J Alban, Wendy D Cornell, Timothy A Chan
Unsupervised and supervised AI on molecular dynamics simulations reveals complex characteristics of HLA-A2-peptide immunogenicity. Briefings in bioinformatics 25 (1) (2024)
Jeffrey K Weber, Joseph A Morrone, Seung-Gu Kang, Leili Zhang, Lijun Lang, Diego Chowell, Chirag Krishna, Tien Huynh, Prerana Parthasarathy, Binquan Luan, Tyler J Alban, Wendy D Cornell, Timothy A Chan
Unsupervised and supervised AI on molecular dynamics simulations reveals complex characteristics of HLA-A2-peptide immunogenicity. Briefings in bioinformatics 25 (1) (2024)
Jeffrey K Weber, Joseph A Morrone, Seung-Gu Kang, Leili Zhang, Lijun Lang, Diego Chowell, Chirag Krishna, Tien Huynh, Prerana Parthasarathy, Binquan Luan, Tyler J Alban, Wendy D Cornell, Timothy A Chan
Unsupervised and supervised AI on molecular dynamics simulations reveals complex characteristics of HLA-A2-peptide immunogenicity. Briefings in bioinformatics 25 (1) (2024)
Seung-Gu Kang, Joseph A Morrone, Jeffrey K Weber, Wendy D Cornell
Analysis of Training and Seed Bias in Small Molecules Generated with a Conditional Graph-Based Variational Autoencoder─Insights for Practical AI-Driven Molecule Generation. Journal of chemical information and modeling 62 (4) (2022)
Matteo Aldeghi, David E Graff, Nathan C Frey, Joseph A Morrone, Edward O Pyzer-Knapp, Kirk E Jordan, Connor W Coley
Roughness of Molecular Property Landscapes and Its Impact on Modellability. Journal of chemical information and modeling 62 (19) (2022)
David E Graff, Matteo Aldeghi, Joseph A Morrone, Kirk E Jordan, Edward O Pyzer-Knapp, Connor W Coley
Self-Focusing Virtual Screening with Active Design Space Pruning. Journal of chemical information and modeling 62 (16) (2022)
Joseph A Morrone, Jeffrey K Weber, Tien Huynh, Heng Luo, Wendy D Cornell
Combining Docking Pose Rank and Structure with Deep Learning Improves Protein-Ligand Binding Mode Prediction over a Baseline Docking Approach. Journal of chemical information and modeling 60 (9) (2020)
Shulin Zhuang, Leili Zhang, Tingjie Zhan, Liping Lu, Lu Zhao, Haifei Wang, Joseph A Morrone, Weiping Liu, Ruhong Zhou
Binding Specificity Determines the Cytochrome P450 3A4 Mediated Enantioselective Metabolism of Metconazole. The journal of physical chemistry. B 122 (3) (2018)
Joseph A Morrone, Alberto Perez, Justin MacCallum, Ken A Dill
Computed Binding of Peptides to Proteins with MELD-Accelerated Molecular Dynamics. Journal of chemical theory and computation 13 (2) (2017)
Joseph A Morrone, Alberto Perez, Qiaolin Deng, Sookhee N Ha, M Katharine Holloway, Tomi K Sawyer, Bradley S Sherborne, Frank K Brown, Ken A Dill
Molecular Simulations Identify Binding Poses and Approximate Affinities of Stapled α-Helical Peptides to MDM2 and MDMX. Journal of chemical theory and computation 13 (2) (2017)

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Publication Activity (10 Years)

Top Topics

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Joseph A Morrone