Guiding Conventional Protein-Ligand Docking Software with Convolutional Neural Networks.
Huaipan JiangMengran FanJian WangAnup SarmaShruti MohantyNikolay V. DokholyanMehrdad MahdaviMahmut T. KandemirPublished in: J. Chem. Inf. Model. (2020)
Keyphrases
- convolutional neural networks
- ligand docking
- software systems
- protein sequences
- software development
- user interface
- software design
- software package
- source code
- object detection
- software tools
- information systems
- open source
- computer systems
- neural network
- protein structure
- mass spectrometry
- case study
- convolutional network