Joseph A. Morrone - Publications, H-index & Citations

Joseph A. Morrone

IBM Thomas J. Watson Research Center

24H指数

49论文数

2.1K被引数

收录论文 27

发表时间

In-Pocket 3D Graphs Enhance Ligand–Target Compatibility in Generative Small-Molecule Creation: A Dopamine D2 Receptor Model System 口袋内3D图增强生成性小分子创建中的配体-靶点兼容性：多巴胺D2受体模型系统

The Journal of Physical Chemistry B

IF2.9

2026-03-04

PREAI

Seung-gu Kang; Jeffrey K. Weber; Joseph A. Morrone; Leili Zhang; Tien Huynh; Wendy D. Cornell

Multi-View Biomedical Foundation Models for Molecule-Target and Property Prediction 用于分子靶标和性质预测的多视图生物医学基础模型

Advanced Science

IF14.1

2026-01-28

OAAI

Parthasarathy Suryanarayanan; Yunguang Qiu; Shreyans Sethi; Diwakar Mahajan; Hongyang Li; Yuxin Yang; Elif Eyigoz; Aldo Guzmán-Sáenz; Daniel E. Platt; Timothy H. Rumbell; Kenney Ng; Sanjoy Dey; Myson Burch; Bum Chul Kwon; Pablo Meyer; Feixiong Cheng; Jianying Hu; Joseph A. Morrone

Unsupervised and supervised AI on molecular dynamics simulations reveals complex characteristics of HLA-A2-peptide immunogenicity 分子动力学模拟的无监督和监督AI揭示了HLA-A2-peptide免疫原性的复杂特征

BRIEFINGS IN BIOINFORMATICS

IF7.7

2024-01-16

OAAI

Weber, Jeffrey K.; Morrone, Joseph A.; Kang, Seung-gu; Zhang, Leili; Lang, Lijun; Chowell, Diego; Krishna, Chirag; Huynh, Tien; Parthasarathy, Prerana; Luan, Binquan; Alban, Tyler J.; Cornell, Wendy D.; Chan, Timothy A.

Roughness of Molecular Property Landscapes and Its Impact on Modellability

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2022-09-16

OAAI

Aldeghi, Matteo; Graff, David E.; Frey, Nathan; Morrone, Joseph A.; Pyzer-Knapp, Edward O.; Jordan, Kirk E.; Coley, Connor W.

Self-Focusing Virtual Screening with Active Design Space Pruning

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2022-08-06

OAAI

Graff, David E.; Aldeghi, Matteo; Morrone, Joseph A.; Jordan, Kirk E.; Pyzer-Knapp, Edward O.; Coley, Connor W.

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

IF5.3

2022-02-07

OAAI

Kang, Seung-Gu; Morrone, Joseph A.; Weber, Jeffrey K.; Cornell, Wendy D.

Simplified, interpretable graph convolutional neural networks for small molecule activity prediction

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2021-11-24

OAAI

Weber, Jeffrey K.; Morrone, Joseph A.; Bagchi, Sugato; Pabon, Jan D. Estrada; Kang, Seung-gu; Zhang, Leili; Cornell, Wendy D.

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

IF5.3

2020-02-20

OAAI

Morrone, Joseph A.; Weber, Jeffrey K.; Tien Huynh; Luo, Heng; Cornell, Wendy D.

Accelerating physical simulations of proteins by leveraging external knowledge

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE

IF27

2017-04-19

OAAI

Perez, Alberto; Morrone, Joseph A.; Dill, Ken A.

Computed Binding of Peptides to Proteins with MELD-Accelerated Molecular Dynamics

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2017-01-19

PREAI

Morrone, Joseph A.; Perez, Alberto; MacCallum, Justin; Dill, Ken A.

Molecular Simulations Identify Binding Poses and Approximate Affinities of Stapled α-Helical Peptides to MDM2 and MDMX

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2017-01-19

OAAI

Morrone, Joseph A.; Perez, Alberto; Dene, Qiaolin; Ha, Sookhee N.; Holloway, Katharine; Sawyer, Tomi K.; Sherborne, Bradley S.; Brown, Frank K.; Dill, Ken A.

Thickness dependent semiconductor-to-metal transition of two-dimensional polyaniline with unique work functions

NANOSCALE

IF5.1

2017-01-01

PREAI

Li, Weifeng; Dai, Xing; Morrone, Joseph; Zhang, Gang; Zhou, Ruhong

Blind protein structure prediction using accelerated free-energy simulations

SCIENCE ADVANCES

IF12.5

2016-11-04

OAAI

Perez, Alberto; Morrone, Joseph A.; Brini, Emiliano; MacCallum, Justin L.; Dill, Ken A.