computer-assisted drug design

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• Drug design — Not to be confused with Designer drug. Drug design, also sometimes referred to as rational drug design or structure based drug design, is the inventive process of finding new medications based on the knowledge of the biological target.[1] The… …   Wikipedia

• List of drug-related deaths — The following is a list of notable people who have died from drug related causes. Criteria for inclusion are death from overdose, death from organ failure/illness due to or exacerbated by drug use, or death from suicide/misadventure under the… …   Wikipedia

• Docking (molecular) — Docking glossary • Receptor or host or lock – The receiving molecule, most commonly a protein or other biopolymer. • Ligand or guest or key – The complementary partner molecule which binds to the receptor. Ligands are most often small molecules… …   Wikipedia

• Molecular graphics — (MG) is the discipline and philosophy of studying molecules and their properties through graphical representation.[1] IUPAC limits the definition to representations on a graphical display device .[2] Ever since Dalton s atoms and Kekulé s benzene …   Wikipedia

• Quantitative structure-activity relationship — (QSAR) is the process by which chemical structure is quantitatively correlated with a well defined process, such as biological activity or chemical reactivity.For example, biological activity can be expressed quantitatively as in the… …   Wikipedia

• автоматическое проектирование лекарств — Конструирование химически синтезируемых лекарств на основе накопленных знаний о рецепторах, с целью моделирования взаимодействия активного центра с субстратом с помощью суперкомпьютеров и интерактивной графики… …   Справочник технического переводчика

• MDL Information Systems — MDL Information Systems, a provider of R D informatics offerings for the life sciences and chemicals industries and acquired by Symyx Technologies, Inc. in 2007, was launched as a computer aided drug design firm (originally named Molecular Design …   Wikipedia

• NIPER Hyderabad — National Institute of Pharmaceutical Education and Research (NIPER) Type Institute of National Importance > Location IDPL, Hyderabad, Andhra Pradesh (India) NIPER Hyderabad is a premier institute offering pharmaceutical sciences education. The …   Wikipedia

• Combinatorial chemistry — involves the rapid synthesis or the computer simulation of a large number of different but structurally related molecules or materials. It is especially common in CADD (Computer aided drug design) and can be done online with web based software,… …   Wikipedia

• Smiles arbitrary target specification — (SMARTS) is a language for specifying substructural patterns in molecules. The SMARTS line notation is expressive and allows extremely precise and transparent substructural specification and atom typing.SMARTS is related to the SMILES line… …   Wikipedia

• Biosimulation — Dieser Artikel wurde aufgrund von formalen und/oder inhaltlichen Mängeln in der Qualitätssicherung Biologie zur Verbesserung eingetragen. Dies geschieht, um die Qualität der Biologie Artikel auf ein akzeptables Niveau zu bringen. Bitte hilf mit,… …   Deutsch Wikipedia