Medicinal Chemistry | Pharmaceutical Sciences Fragment Linker Prediction Using the Deep Encoder-Decoder Network for PROTACs Drug Design. May 8, 2023
Bioinformatics | Chemistry | Pharmaceutical Sciences Universal Approach to De Novo Drug Design for Target Proteins Using Deep Reinforcement Learning. February 23, 2023
Bioinformatics | Computational Biology | Immunology | Virology Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2. May 20, 2022
Other Bioinspired translation of classical music intoprotein structures using deep learning and molecular modeling. October 26, 2021
Artificial Intelligence | Bioinformatics | Pharmacology The rise of deep learning and transformations in bioactivity prediction power of molecular modeling tools. September 17, 2021
Biology | Chemistry | Engineering | Materials Science | Physics “Dividing and Conquering” and “Caching” in Molecular Modeling. June 2, 2021
Bioinformatics | Drug design | Pharmacology Accelerating Drug Design against Novel Proteins Using Deep Learning. January 25, 2021
Chemistry | Computational Biology A Perspective on Deep Learning for Molecular Modeling and Simulations. August 13, 2020
Chemistry | Computer Science A Perspective on Deep Learning for Molecular Modeling and Simulations. July 14, 2020
Bioinformatics | Chemoinformatics | Computational Chemistry libmolgrid: GPU Accelerated Molecular Gridding for Deep Learning Applications. February 12, 2020
Chemistry | Pharmaceutical Sciences Predicting complexation performance between cyclodextrins and guest molecules by integrated machine learning and molecular modeling techniques. December 26, 2019