Matches in DBpedia 2016-04 for { <http://dbpedia.org/resource/Molecular_mechanics> ?p ?o }
- Molecular_mechanics abstract "Molecular mechanics uses classical mechanics to model molecular systems. The potential energy of all systems in molecular mechanics is calculated using force fields. Molecular mechanics can be used to study small molecules as well as large biological systems or material assemblies with many thousands to millions of atoms.All-atomistic molecular mechanics methods have the following properties: Each atom is simulated as a single particle Each particle is assigned a radius (typically the van der Waals radius), polarizability, and a constant net charge (generally derived from quantum calculations and/or experiment) Bonded interactions are treated as \"springs\" with an equilibrium distance equal to the experimental or calculated bond lengthVariations on this theme are possible; for example, many simulations have historically used a \"united-atom\" representation in which each terminal methyl group or intermediate methylene unit was considered a single particle, and large protein systems are commonly simulated using a \"bead\" model that assigns two to four particles per amino acid.".
- Molecular_mechanics thumbnail Bond_stretching_energy.png?width=300.
- Molecular_mechanics wikiPageExternalLink Products.html.
- Molecular_mechanics wikiPageExternalLink ?aModele=afficheN&cpsidt=10678043.
- Molecular_mechanics wikiPageExternalLink cytosolve.com.
- Molecular_mechanics wikiPageExternalLink h.bekker.
- Molecular_mechanics wikiPageExternalLink acemd.
- Molecular_mechanics wikiPageExternalLink ce_intro.html.
- Molecular_mechanics wikiPageExternalLink www.exorga.com.
- Molecular_mechanics wikiPageExternalLink molecular_mechanics_-_it_is_simple.
- Molecular_mechanics wikiPageExternalLink www.zeden.org.
- Molecular_mechanics wikiPageID "547400".
- Molecular_mechanics wikiPageLength "16489".
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- Molecular_mechanics wikiPageRevisionID "704871952".
- Molecular_mechanics wikiPageWikiLink AMBER.
- Molecular_mechanics wikiPageWikiLink Abalone_(molecular_mechanics).
- Molecular_mechanics wikiPageWikiLink Amino_acid.
- Molecular_mechanics wikiPageWikiLink BOSS_(molecular_mechanics).
- Molecular_mechanics wikiPageWikiLink Benzene.
- Molecular_mechanics wikiPageWikiLink CHARMM.
- Molecular_mechanics wikiPageWikiLink Category:Computational_chemistry.
- Molecular_mechanics wikiPageWikiLink Category:Intermolecular_forces.
- Molecular_mechanics wikiPageWikiLink Category:Molecular_modelling.
- Molecular_mechanics wikiPageWikiLink Category:Molecular_physics.
- Molecular_mechanics wikiPageWikiLink Classical_mechanics.
- Molecular_mechanics wikiPageWikiLink Coulombs_law.
- Molecular_mechanics wikiPageWikiLink Docking_(molecular).
- Molecular_mechanics wikiPageWikiLink Enthalpy.
- Molecular_mechanics wikiPageWikiLink Entropy.
- Molecular_mechanics wikiPageWikiLink Ergodic_hypothesis.
- Molecular_mechanics wikiPageWikiLink Ewald_summation.
- Molecular_mechanics wikiPageWikiLink Fast_multipole_method.
- Molecular_mechanics wikiPageWikiLink Force_field_(chemistry).
- Molecular_mechanics wikiPageWikiLink Force_field_implementation.
- Molecular_mechanics wikiPageWikiLink GROMACS.
- Molecular_mechanics wikiPageWikiLink GROMOS.
- Molecular_mechanics wikiPageWikiLink Gaussian_(software).
- Molecular_mechanics wikiPageWikiLink Ghemical.
- Molecular_mechanics wikiPageWikiLink Gibbs_free_energy.
- Molecular_mechanics wikiPageWikiLink Gradient_descent.
- Molecular_mechanics wikiPageWikiLink Harmonic_oscillator.
- Molecular_mechanics wikiPageWikiLink Implicit_solvation.
- Molecular_mechanics wikiPageWikiLink Internal_Coordinate_Mechanics.
- Molecular_mechanics wikiPageWikiLink LAMMPS.
- Molecular_mechanics wikiPageWikiLink Lennard-Jones_potential.
- Molecular_mechanics wikiPageWikiLink List_of_software_for_Monte_Carlo_molecular_modeling.
- Molecular_mechanics wikiPageWikiLink List_of_software_for_molecular_mechanics_modeling.
- Molecular_mechanics wikiPageWikiLink MDynaMix.
- Molecular_mechanics wikiPageWikiLink MacroModel.
- Molecular_mechanics wikiPageWikiLink Mathematical_optimization.
- Molecular_mechanics wikiPageWikiLink Methyl_group.
- Molecular_mechanics wikiPageWikiLink Methylene_bridge.
- Molecular_mechanics wikiPageWikiLink Metropolis–Hastings_algorithm.
- Molecular_mechanics wikiPageWikiLink Molecular_design_software.
- Molecular_mechanics wikiPageWikiLink Molecular_dynamics.
- Molecular_mechanics wikiPageWikiLink Molecular_graphics.
- Molecular_mechanics wikiPageWikiLink Molecular_modeling_on_GPUs.
- Molecular_mechanics wikiPageWikiLink Molecule.
- Molecular_mechanics wikiPageWikiLink Molecule_editor.
- Molecular_mechanics wikiPageWikiLink Monte_Carlo_method.
- Molecular_mechanics wikiPageWikiLink Morse_potential.
- Molecular_mechanics wikiPageWikiLink NAMD.
- Molecular_mechanics wikiPageWikiLink Normal_mode.
- Molecular_mechanics wikiPageWikiLink Potential_energy_of_protein.
- Molecular_mechanics wikiPageWikiLink Protein.
- Molecular_mechanics wikiPageWikiLink Protein_design.
- Molecular_mechanics wikiPageWikiLink Q-Chem.
- Molecular_mechanics wikiPageWikiLink Q_(software).
- Molecular_mechanics wikiPageWikiLink Simulated_annealing.
- Molecular_mechanics wikiPageWikiLink Spartan_(software).
- Molecular_mechanics wikiPageWikiLink Tinker_(software).
- Molecular_mechanics wikiPageWikiLink Van_der_Waals_force.
- Molecular_mechanics wikiPageWikiLink Van_der_Waals_radius.
- Molecular_mechanics wikiPageWikiLink Water_model.
- Molecular_mechanics wikiPageWikiLink X-PLOR.
- Molecular_mechanics wikiPageWikiLink YASARA.
- Molecular_mechanics wikiPageWikiLink File:Bond_stretching_energy.png.
- Molecular_mechanics wikiPageWikiLink File:MM_PEF.png.
- Molecular_mechanics wikiPageWikiLinkText "MM".
- Molecular_mechanics wikiPageWikiLinkText "Mol. mech.".
- Molecular_mechanics wikiPageWikiLinkText "Molecular Mechanics".
- Molecular_mechanics wikiPageWikiLinkText "Molecular mechanics".
- Molecular_mechanics wikiPageWikiLinkText "explicit solvent".
- Molecular_mechanics wikiPageWikiLinkText "mechanistic".
- Molecular_mechanics wikiPageWikiLinkText "molecular mechanic".
- Molecular_mechanics wikiPageWikiLinkText "molecular mechanical origin".
- Molecular_mechanics wikiPageWikiLinkText "molecular mechanical".
- Molecular_mechanics wikiPageWikiLinkText "molecular mechanics".
- Molecular_mechanics wikiPageWikiLinkText "molecular".
- Molecular_mechanics wikiPageWikiLinkText "scoring function".
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- Molecular_mechanics wikiPageUsesTemplate Template:Columns-list.
- Molecular_mechanics wikiPageUsesTemplate Template:Main.
- Molecular_mechanics wikiPageUsesTemplate Template:Merge.
- Molecular_mechanics wikiPageUsesTemplate Template:Reflist.
- Molecular_mechanics subject Category:Computational_chemistry.
- Molecular_mechanics subject Category:Intermolecular_forces.
- Molecular_mechanics subject Category:Molecular_modelling.