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32 relations: Alkane, Amino acid, Ascalaph Designer, C++, Carbon, Comparison of force field implementations, Comparison of software for molecular mechanics modeling, DNA, ETH Zurich, Force field (chemistry), Fortran, GROMACS, Herman Berendsen, Hydrocarbon, Hydrogen, Hydrophobe, Lipid, Membrane, Micelle, Molecular dynamics, Molecule, Nucleotide, Polymer, Proprietary software, Protein, Simulation, Software, Sugar, University of Groningen, Unix-like, Van der Waals force, X86.
Alkane
In organic chemistry, an alkane, or paraffin (a historical name that also has other meanings), is an acyclic saturated hydrocarbon.
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Amino acid
Amino acids are organic compounds containing amine (-NH2) and carboxyl (-COOH) functional groups, along with a side chain (R group) specific to each amino acid.
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Ascalaph Designer
Ascalaph Designer is a computer program for general purpose molecular modelling for molecular design and simulations.
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C++
C++ ("see plus plus") is a general-purpose programming language.
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Carbon
Carbon (from carbo "coal") is a chemical element with symbol C and atomic number 6.
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Comparison of force field implementations
This is a table of computer programs implementing molecular mechanics force fields.
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Comparison of software for molecular mechanics modeling
This is a list of computer programs that are predominantly used for molecular mechanics calculations.
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DNA
Deoxyribonucleic acid (DNA) is a thread-like chain of nucleotides carrying the genetic instructions used in the growth, development, functioning and reproduction of all known living organisms and many viruses.
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ETH Zurich
ETH Zurich (Swiss Federal Institute of Technology in Zurich; Eidgenössische Technische Hochschule Zürich) is a science, technology, engineering and mathematics STEM university in the city of Zürich, Switzerland.
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Force field (chemistry)
In the context of molecular modeling, a force field (a special case of energy functions or interatomic potentials; not to be confused with force field in classical physics) refers to the functional form and parameter sets used to calculate the potential energy of a system of atoms or coarse-grained particles in molecular mechanics and molecular dynamics simulations.
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Fortran
Fortran (formerly FORTRAN, derived from Formula Translation) is a general-purpose, compiled imperative programming language that is especially suited to numeric computation and scientific computing.
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GROMACS
GROningen MAchine for Chemical Simulations (GROMACS) is a molecular dynamics package mainly designed for simulations of proteins, lipids and nucleic acids.
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Herman Berendsen
Herman Johan Christiaan Berendsen (born 22 September 1934) is a Dutch chemist.
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Hydrocarbon
In organic chemistry, a hydrocarbon is an organic compound consisting entirely of hydrogen and carbon.
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Hydrogen
Hydrogen is a chemical element with symbol H and atomic number 1.
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Hydrophobe
In chemistry, hydrophobicity is the physical property of a molecule (known as a hydrophobe) that is seemingly repelled from a mass of water.
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Lipid
In biology and biochemistry, a lipid is a biomolecule that is soluble in nonpolar solvents.
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Membrane
A membrane is a selective barrier; it allows some things to pass through but stops others.
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Micelle
A micelle or micella (plural micelles or micellae, respectively) is an aggregate (or supramolecular assembly) of surfactant molecules dispersed in a liquid colloid.
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Molecular dynamics
Molecular dynamics (MD) is a computer simulation method for studying the physical movements of atoms and molecules.
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Molecule
A molecule is an electrically neutral group of two or more atoms held together by chemical bonds.
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Nucleotide
Nucleotides are organic molecules that serve as the monomer units for forming the nucleic acid polymers deoxyribonucleic acid (DNA) and ribonucleic acid (RNA), both of which are essential biomolecules within all life-forms on Earth.
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Polymer
A polymer (Greek poly-, "many" + -mer, "part") is a large molecule, or macromolecule, composed of many repeated subunits.
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Proprietary software
Proprietary software is non-free computer software for which the software's publisher or another person retains intellectual property rights—usually copyright of the source code, but sometimes patent rights.
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Protein
Proteins are large biomolecules, or macromolecules, consisting of one or more long chains of amino acid residues.
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Simulation
Simulation is the imitation of the operation of a real-world process or system.
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Software
Computer software, or simply software, is a generic term that refers to a collection of data or computer instructions that tell the computer how to work, in contrast to the physical hardware from which the system is built, that actually performs the work.
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Sugar
Sugar is the generic name for sweet-tasting, soluble carbohydrates, many of which are used in food.
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University of Groningen
The University of Groningen (abbreviated as UG; Rijksuniversiteit Groningen, abbreviated as RUG) is a public research university in the city of Groningen in the Netherlands.
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Unix-like
A Unix-like (sometimes referred to as UN*X or *nix) operating system is one that behaves in a manner similar to a Unix system, while not necessarily conforming to or being certified to any version of the Single UNIX Specification.
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Van der Waals force
In molecular physics, the van der Waals forces, named after Dutch scientist Johannes Diderik van der Waals, are distance-dependent interactions between atoms or molecules.
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X86
x86 is a family of backward-compatible instruction set architectures based on the Intel 8086 CPU and its Intel 8088 variant.
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References
[1] https://en.wikipedia.org/wiki/GROMOS
