Gianpaolo Gobbo

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 9

Top Venues

Journal of chemical theory and computation

Journal of chemical information and modeling

The journal of physical chemistry. B

The Journal of chemical physics

Massachusetts Institute of Technology

Scuola Internazionale Superiore di Studi Avanzati (PHD)

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

Affiliation History

Massachusetts Institute of Technology Nov 08 2015 - Apr 12 2019

United States

Postdoctoral Associate :: Chemical Engineering

University of Edinburgh Nov 01 2013 - Oct 31 2015

United Kingdom

Postdoctoral Associate :: School of Mathematics

Education History

Scuola Internazionale Superiore di Studi Avanzati Nov 02 2009 - Oct 21 2013

Italy

PHD :: Statistical and Biological Physics

Publications

Florian M Dietrich, Xavier R Advincula, Gianpaolo Gobbo, Michael A Bellucci, Matteo Salvalaglio
Machine Learning Nucleation Collective Variables with Graph Neural Networks. Journal of chemical theory and computation (2023)
Bai Xue, Qingyi Yang, Qiaochu Zhang, Xiao Wan, Dong Fang, Xiaolu Lin, Guangxu Sun, Gianpaolo Gobbo, Fenglei Cao, Alan M Mathiowetz, Benjamin J Burke, Robert A Kumpf, Brajesh K Rai, Geoffrey P F Wood, Frank C Pickard, Junmei Wang, Peiyu Zhang, Jian Ma, Yide Alan Jiang, Shuhao Wen, Xinjun Hou, Junjie Zou, Mingjun Yang
Development and Comprehensive Benchmark of a High-Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation. Journal of chemical theory and computation (2023)
Bai Xue, Qingyi Yang, Qiaochu Zhang, Xiao Wan, Dong Fang, Xiaolu Lin, Guangxu Sun, Gianpaolo Gobbo, Fenglei Cao, Alan M Mathiowetz, Benjamin J Burke, Robert A Kumpf, Brajesh K Rai, Geoffrey P F Wood, Frank C Pickard, Junmei Wang, Peiyu Zhang, Jian Ma, Yide Alan Jiang, Shuhao Wen, Xinjun Hou, Junjie Zou, Mingjun Yang
Development and Comprehensive Benchmark of a High-Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation. Journal of chemical theory and computation 20 (2) (2023)
Bai Xue, Qingyi Yang, Qiaochu Zhang, Xiao Wan, Dong Fang, Xiaolu Lin, Guangxu Sun, Gianpaolo Gobbo, Fenglei Cao, Alan M Mathiowetz, Benjamin J Burke, Robert A Kumpf, Brajesh K Rai, Geoffrey P F Wood, Frank C Pickard, Junmei Wang, Peiyu Zhang, Jian Ma, Yide Alan Jiang, Shuhao Wen, Xinjun Hou, Junjie Zou, Mingjun Yang
Development and Comprehensive Benchmark of a High-Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation. Journal of chemical theory and computation 20 (2) (2023)
Zhixiong Lin, Junjie Zou, Shuai Liu, Chunwang Peng, Zhipeng Li, Xiao Wan, Dong Fang, Jian Yin, Gianpaolo Gobbo, Yongpan Chen, Jian Ma, Shuhao Wen, Peiyu Zhang, Mingjun Yang
A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Predictions: New Opportunities and Challenges for Drug Discovery. Journal of chemical information and modeling 61 (6) (2021)
Zhixiong Lin, Junjie Zou, Shuai Liu, Chunwang Peng, Zhipeng Li, Xiao Wan, Dong Fang, Jian Yin, Gianpaolo Gobbo, Yongpan Chen, Jian Ma, Shuhao Wen, Peiyu Zhang, Mingjun Yang
Correction to "A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Prediction: New Opportunities and Challenges for Drug Discovery". Journal of chemical information and modeling 61 (9) (2021)
Muhammad A Hagras, Michael A Bellucci, Gianpaolo Gobbo, Ryan A Marek, Bernhardt L Trout
Computational Modeling of the Disulfide Cross-Linking Reaction. The journal of physical chemistry. B 124 (44) (2020)
Michael A Bellucci, Gianpaolo Gobbo, Tharanga K Wijethunga, Giovanni Ciccotti, Bernhardt L Trout
Solubility of paracetamol in ethanol by molecular dynamics using the extended Einstein crystal method and experiments. The Journal of chemical physics 150 (9) (2019)
Gianpaolo Gobbo, Michael A Bellucci, Gareth A Tribello, Giovanni Ciccotti, Bernhardt L Trout
Nucleation of Molecular Crystals Driven by Relative Information Entropy. Journal of chemical theory and computation 14 (2) (2018)

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Publication Activity (10 Years)

Top Topics

Top Venues

Gianpaolo Gobbo