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GROMOS, the Glossary

Index GROMOS

GROningen MOlecular Simulation (GROMOS) is the name of a force field for molecular dynamics simulation, and a related computer software package.[1]

Table of Contents

  1. 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.

  2. Force fields (chemistry)
  3. Fortran software
  4. Molecular dynamics software

Alkane

In organic chemistry, an alkane, or paraffin (a historical trivial name that also has other meanings), is an acyclic saturated hydrocarbon.

See GROMOS and Alkane

Amino acid

Amino acids are organic compounds that contain both amino and carboxylic acid functional groups.

See GROMOS and Amino acid

Ascalaph Designer

Ascalaph Designer is a computer program for general purpose molecular modelling for molecular design and simulations. GROMOS and Ascalaph Designer are molecular dynamics software.

See GROMOS and Ascalaph Designer

C++

C++ (pronounced "C plus plus" and sometimes abbreviated as CPP) is a high-level, general-purpose programming language created by Danish computer scientist Bjarne Stroustrup.

See GROMOS and C++

Carbon

Carbon is a chemical element; it has symbol C and atomic number 6.

See GROMOS and Carbon

Comparison of force-field implementations

This is a table of notable computer programs implementing molecular mechanics force fields. GROMOS and Comparison of force-field implementations are force fields (chemistry).

See GROMOS and Comparison of force-field implementations

Comparison of software for molecular mechanics modeling

This is a list of computer programs that are predominantly used for molecular mechanics calculations. GROMOS and Comparison of software for molecular mechanics modeling are molecular dynamics software.

See GROMOS and Comparison of software for molecular mechanics modeling

DNA

Deoxyribonucleic acid (DNA) is a polymer composed of two polynucleotide chains that coil around each other to form a double helix.

See GROMOS and DNA

ETH Zurich

ETH Zurich (Eidgenössische Technische Hochschule Zürich; Federal Institute of Technology Zurich) is a public research university in Zürich, Switzerland.

See GROMOS and ETH Zurich

Force field (chemistry)

In the context of chemistry, molecular physics, physical chemistry, and molecular modelling, a force field is a computational model that is used to describe the forces between atoms (or collections of atoms) within molecules or between molecules as well as in crystals. GROMOS and force field (chemistry) are force fields (chemistry).

See GROMOS and Force field (chemistry)

Fortran

Fortran (formerly FORTRAN) is a third generation, compiled, imperative programming language that is especially suited to numeric computation and scientific computing.

See GROMOS and Fortran

GROMACS

GROMACS is a molecular dynamics package mainly designed for simulations of proteins, lipids, and nucleic acids. GROMOS and GROMACS are molecular dynamics software.

See GROMOS and GROMACS

Herman Berendsen

Herman Johan Christiaan Berendsen (22 September 1934 – 7 October 2019) was a Dutch chemist.

See GROMOS and Herman Berendsen

Hydrocarbon

In organic chemistry, a hydrocarbon is an organic compound consisting entirely of hydrogen and carbon.

See GROMOS and Hydrocarbon

Hydrogen

Hydrogen is a chemical element; it has symbol H and atomic number 1.

See GROMOS and Hydrogen

Hydrophobe

In chemistry, hydrophobicity is the physical property of a molecule that is seemingly repelled from a mass of water (known as a hydrophobe).

See GROMOS and Hydrophobe

Lipid

Lipids are a broad group of organic compounds which include fats, waxes, sterols, fat-soluble vitamins (such as vitamins A, D, E and K), monoglycerides, diglycerides, phospholipids, and others.

See GROMOS and Lipid

Membrane

A membrane is a selective barrier; it allows some things to pass through but stops others.

See GROMOS and Membrane

Micelle

A micelle or micella (or micellae, respectively) is an aggregate (or supramolecular assembly) of surfactant amphipathic lipid molecules dispersed in a liquid, forming a colloidal suspension (also known as associated colloidal system).

See GROMOS and Micelle

Molecular dynamics

Molecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules.

See GROMOS and Molecular dynamics

Molecule

A molecule is a group of two or more atoms held together by attractive forces known as chemical bonds; depending on context, the term may or may not include ions which satisfy this criterion.

See GROMOS and Molecule

Nucleotide

Nucleotides are organic molecules composed of a nitrogenous base, a pentose sugar and a phosphate.

See GROMOS and Nucleotide

Polymer

A polymer is a substance or material consisting of very large molecules linked together into chains of repeating subunits.

See GROMOS and Polymer

Proprietary software

Proprietary software is software that grants its creator, publisher, or other rightsholder or rightsholder partner a legal monopoly by modern copyright and intellectual property law to exclude the recipient from freely sharing the software or modifying it, and—in some cases, as is the case with some patent-encumbered and EULA-bound software—from making use of the software on their own, thereby restricting their freedoms.

See GROMOS and Proprietary software

Protein

Proteins are large biomolecules and macromolecules that comprise one or more long chains of amino acid residues.

See GROMOS and Protein

Simulation

A simulation is an imitative representation of a process or system that could exist in the real world.

See GROMOS and Simulation

Software

Software consists of computer programs that instruct the execution of a computer.

See GROMOS and Software

Sugar

Sugar is the generic name for sweet-tasting, soluble carbohydrates, many of which are used in food.

See GROMOS and Sugar

University of Groningen

The University of Groningen (abbreviated as UG; Rijksuniversiteit Groningen, abbreviated as RUG) is a public research university of more than 30,000 students in the city of Groningen in the Netherlands.

See GROMOS and University of Groningen

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, although not necessarily conforming to or being certified to any version of the Single UNIX Specification.

See GROMOS and Unix-like

Van der Waals force

In molecular physics and chemistry, the van der Waals force (sometimes van de Waals' force) is a distance-dependent interaction between atoms or molecules.

See GROMOS and Van der Waals force

X86

x86 (also known as 80x86 or the 8086 family) is a family of complex instruction set computer (CISC) instruction set architectures initially developed by Intel based on the 8086 microprocessor and its 8-bit-external-bus variant, the 8088.

See GROMOS and X86

See also

Force fields (chemistry)

Fortran software

Molecular dynamics software

References

[1] https://en.wikipedia.org/wiki/GROMOS