AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening
نویسندگان
چکیده
منابع مشابه
DG-AMMOS: A New tool to generate 3D conformation of small molecules using Distance Geometry and Automated Molecular Mechanics Optimization for in silico Screening
BACKGROUND Discovery of new bioactive molecules that could enter drug discovery programs or that could serve as chemical probes is a very complex and costly endeavor. Structure-based and ligand-based in silico screening approaches are nowadays extensively used to complement experimental screening approaches in order to increase the effectiveness of the process and facilitating the screening of ...
متن کاملTowards an automated screening tool for pediatric speech delay
Speech delay is a childhood language problem that sometimes is resolved on its own but sometimes may cause more serious language difficulties later. This leads therapists to screen children for detection at early ages in order to eliminate future problems. Using the Goldman-Fristoe Test of Articulation (GFTA) method, therapists listen to a child’s pronunciation of certain phonemes and phoneme p...
متن کاملIn silico prediction of anticancer peptides by TRAINER tool
Cancer is one of the causes of death in the world. Several treatment methods exist against cancer cells such as radiotherapy and chemotherapy. Since traditional methods have side effects on normal cells and are expensive, identification and developing a new method to cancer therapy is very important. Antimicrobial peptides, present in a wide variety of organisms, such as plants, amphibians and ...
متن کاملIn Silico Genome-Wide Screening for TnrA-Regulated Genes of Bacillus clausii
Bacillus clausii TnrA transcription factor is required for global nitrogen regulation. In order to obtain anoverview of gene regulation by TnrA in B. clausii KSMK16, the entire genome of B. clausii was screened forthe consensus sequence, 5’-TGTNAN7TNACA-3’ known as the TnrA box, and 13 transcription units werefound containing a putative TnrA box. The TnrA targets identified in...
متن کاملAMMOS2: a web server for protein–ligand–water complexes refinement via molecular mechanics
AMMOS2 is an interactive web server for efficient computational refinement of protein-small organic molecule complexes. The AMMOS2 protocol employs atomic-level energy minimization of a large number of experimental or modeled protein-ligand complexes. The web server is based on the previously developed standalone software AMMOS (Automatic Molecular Mechanics Optimization for in silico Screening...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: BMC Bioinformatics
سال: 2008
ISSN: 1471-2105
DOI: 10.1186/1471-2105-9-438