Jon M. Sutter

Learn More
A highly efficient conformer search algorithm based on a divide-and-conquer and recursive conformer build-up approach is presented in this paper. This approach is combined with consideration of local rotational symmetry so that conformer duplicates due to topological symmetry in the systematic search can be efficiently eliminated. This new algorithm, termed(More)
The psychopathological scale of AMDP system is voluntary limited to descriptive aspects of psychopathology. If the term psychopathology could be considered identical to psychiatric semiology, the words signs and symptoms go above the descriptive stade: the greek name sumptôma contains sun (with) and piptein (appear), while the word sign is an intellectual(More)
Ligand profiling is an emerging computational method for predicting the most likely targets of a bioactive compound and therefore anticipating adverse reactions, side effects and drug repurposing. A few encouraging successes have already been reported using ligand 2-D similarity searches and protein-ligand docking. The current study describes the use of(More)
This study provides results from two case studies involving the application of the HypoGenRefine algorithm within Catalyst for the automated generation of excluded volume from ligand information alone. A limitation of pharmacophore feature hypothesis alone is that activity prediction is based purely on the presence and arrangement of pharmacophoric(More)
Generating a pharmacophore is often the first step towards understanding the interactions between a receptor and a ligand and can be pivotal to a successful drug discovery project. The pharmacophore tools at Accelrys have been used to assist in many different projects over the years, such as lead generation, scaffold hopping, mining ligand databases as well(More)
After the research about Sulpiride, a new substituted benzamide has been studied. Although it was characterized by modest pharmacological effects in the neuroleptic identification tests, LIN 1418 turned out to have very interesting therapeutic properties. A study conducted with 50 cases, 30 of which were submitted a systematic pluridisciplinary control,(More)