computational methods for large molecules

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• Computational chemistry — is a branch of chemistry that uses principles of computer science to assist in solving chemical problems. It uses the results of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of… …   Wikipedia

• Large numbers — This article is about large numbers in the sense of numbers that are significantly larger than those ordinarily used in everyday life, for instance in simple counting or in monetary transactions. The term typically refers to large positive… …   Wikipedia

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• Scoring functions for docking — In the fields of computational chemistry and molecular modelling, scoring functions are fast approximate mathematical methods used to predict the strength of the non covalent interaction (also referred to as binding affinity) between two… …   Wikipedia

• Lattice Boltzmann methods — (LBM) is a class of computational fluid dynamics (CFD) methods for fluid simulation. Instead of solving the Navier–Stokes equations, the discrete Boltzmann equation is solved to simulate the flow of a Newtonian fluid with collision models such as …   Wikipedia

• Krasnow Institute for Advanced Study — History= ) and produced new approaches to this frontier in addition to a book published by SFI [http://books.google.com/books?id=XJERwCCsLk8C dq=the+mind+the+brain+and+complex+adaptive+systems pg=PP1 ots=q TFEPJ t1 sig=XnegZz u2mPx5OFz1 3Ux yOfaA …   Wikipedia

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• Cell cycle — For the separation of chromosomes that occurs as part of the cell cycle, see mitosis. For the Academic journal, see Cell Cycle. Each turn of the cell cycle divides the chromosomes in a cell nucleus. The cell cycle, or cell division cycle, is the… …   Wikipedia

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• 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