For questions not addressed by a support solution here, please email email@example.com. Please do include a description of the problem as well as your operating system and version.
What can we help you with?
… should be a H-bond acceptor. The protein atom should be available for ligand binding (e.g. solvent accessible). You can see if the atoms involved in your H-bond …
… , 1999 [DOI: 10.1006/jmbi.1999.2809] SuperStar: Improved knowledge-based interaction fields for protein binding sites M. L. Verdonk, J. C. Cole, P. Watson, V. Gillet …
… Although GOLD was designed to dock flexible ligands into protein binding sites, it is possible to perform a rigid ligand docking. To enable this option, go …
… program can then be used to predict the binding mode of the ligand and a comparison made with the crystallographically observed position. Using this methodology …
… containing a list of residues When using a list of residues to define the binding site the file must be in the following format: > HIS69 ARG71 GLU72 ARG127 ASN144 …
… How can I calculate a score per binding site residue? …
… . The starting positions of Ser, Thr and Tyr OH groups and Lys NH3+ groups therefore do not matter. In cases where you are docking a ligand into a binding site …
… useful probes to start exploring a binding site are usually: Alcohol Oxygen: the hydroxyl group can both donate and accept hydrogen bonds, so favorable spots …
Top Support Solutions
- Which platforms are supported?
- What is the difference between the GoldScore, ChemScore, ASP and ChemPLP scoring functions provided with GOLD?
- What are the differences between the Tanimoto and Dice similarity coefficients?
- How does the GOLD licensing system work?
- What is GOLD's "FlexNet Licence Manager" and how does it work?
Newest Support Solutions
- ConQuest 2.0.0 fails to start on some linux systems
- Using old in-house databases with the 2019 CSD System
- Use of ConQuest's 3D Visualiser on Mac Retina Displays
- How to ensure you get the best graphical performance from the 3D visualiser components in CCDC programs
- Why is CellCheckCSD 1.2 not working with my diffractometer software package?