Real time energy calculation and minimization in interactive three dimensional computer graphics

Computer graphics in real-time docking w

Computer graphics in real-time docking with energy calculation and minimization

✍ N. Pattabiraman; M. Levitt; T. E. Ferrin; R. Langridge 📂 Article 📅 1985 🏛 John Wiley and Sons 🌐 English ⚖ 429 KB

We describe a real-time docking method using molecular graphics and high-speed calculation of the energy of interaction between a drug and a receptor. A three-dimensional tabulation of the potential is computed prior to the docking experiment, and the total interaction energy is calculated and updat