A virtual system-coupled molecular dynamics simulation free from experimental knowledge on binding sites: Application to RNA-ligand binding free-energy landscape
Ligand–receptor docking simulation is difficult when the biomolecules have high intrinsic flexibility. If some knowledge on the ligand–receptor complex structure or inter-molecular contact sites are presented in advance, the difficulty of docking problem considerably decreases. This paper proposes a...
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| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
The Biophysical Society of Japan
2025-06-01
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| Series: | Biophysics and Physicobiology |
| Subjects: | |
| Online Access: | https://doi.org/10.2142/biophysico.bppb-v22.0011 |
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