TY - JOUR AU - Rognan, Didier AU - Bissantz, Caterina AU - Dédier, Séverine AU - Logean, Antoine AU - Reinelt, Stefan PY - 2000/11/29 Y2 - 2024/03/28 TI - Synergistic Use of Virtual Screening and Biophysical Methods for the Protein-Based Design of Peptidomimetics JF - CHIMIA JA - Chimia VL - 54 IS - 11 SE - Scientific Articles DO - 10.2533/chimia.2000.658 UR - https://www.chimia.ch/chimia/article/view/2000_658 SP - 658 AB - Combining virtual screening with biophysical studies of protein-ligand complexes is an effective tool for designing new peptidomimetics. When a three-dimensional structure of the target protein is known, automated docking of chemical databases can be used as a powerful filter to reduce the number of molecules that will be further tested. Easy screening of potential hits can then be performed using fluorescence polarization techniques, if a fluorescent-labeled ligand already exists for the target. In addition, thermodynamic properties of protein-ligand complexes can be measured by circular dichroism spectroscopy. ER -