Mojtaba Haghighatlari
Pfizer (United States)(US)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Machine Learning in Materials Science, Protein Structure and Dynamics, Various Chemistry Research Topics, Enzyme Structure and Function
Most-Cited Works
- → NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forces(2022)125 cited
- → Learning to Make Chemical Predictions: The Interplay of Feature Representation, Data, and Machine Learning Methods(2020)117 cited
- → Extended experimental inferential structure determination method in determining the structural ensembles of disordered protein states(2020)64 cited
- → ChemML : A machine learning and informatics program package for the analysis, mining, and modeling of chemical and materials data(2020)63 cited
- → IDPConformerGenerator: A Flexible Software Suite for Sampling the Conformational Space of Disordered Protein States(2022)61 cited
- → Accelerated Discovery of High-Refractive-Index Polyimides via First-Principles Molecular Modeling, Virtual High-Throughput Screening, and Data Mining(2019)54 cited
- → A deep neural network model for packing density predictions and its application in the study of 1.5 million organic molecules(2019)48 cited
- → Building and deploying a cyberinfrastructure for the data-driven design of chemical systems and the exploration of chemical space(2018)41 cited
- → Learning to evolve structural ensembles of unfolded and disordered proteins using experimental solution data(2023)36 cited
- → A benchmark dataset for Hydrogen Combustion(2022)25 cited