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molecular electrostatic potential

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  • 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

  • Molecular mechanics — A force field is used to minimize the bond stretching energy of this ethane molecule. Molecular mechanics uses Newtonian mechanics to model molecular systems. The potential energy of all systems in molecular mechanics is calculated using force… …   Wikipedia

  • Molecular dynamics — (MD) is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms. In the most common version, the trajectories of molecules… …   Wikipedia

  • Molecular mimicry — is defined as the theoretical possibility that sequence similarities between foreign and self peptides are sufficient to result in the cross activation of autoreactive T or B cells by pathogen derived peptides. Despite the promiscuity of several… …   Wikipedia

  • Molecular modelling — The backbone dihedral angles are included in the molecular model of a protein. Modelling of ionic li …   Wikipedia

  • Molecular Hamiltonian — In atomic, molecular, and optical physics as well as in quantum chemistry, molecular Hamiltonian is the name given to the Hamiltonian representing the energy of the electrons and nuclei in a molecule. This Hermitian operator and the associated… …   Wikipedia

  • Molecular tweezers — Trinitrofluorene bound in molecular tweezers reported by Lehn and coworkers.[1] …   Wikipedia

  • Molecular machine — Part of a series of articles on Molecular Nanotechnology …   Wikipedia

  • Ionization potential — The ionization potential, ionization energy or EI of an atom or molecule is the energy required to remove an electron from the isolated atom or ion. More generally, the nth ionization energy is the energy required to strip it of the n th electron …   Wikipedia

  • Electrochemical potential — In electrochemistry, the electrochemical potential, ar{mu}, sometimes confusingly abbreviated to ECP, is a thermodynamic measure that combines the concepts of energy stored in the form of chemical potential and electrostatics. It is important in …   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

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