Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. The methods are used in...

A molecular model is a physical model of an atomistic system that represents molecules and their processes. They play an important role in understanding...

Molecular modeling on GPU is the technique of using a graphics processing unit (GPU) for molecular simulations. In 2007, Nvidia introduced video cards...

Monte Carlo molecular modeling List of software for nanostructures modeling Molecular design software Molecular dynamics Molecular modeling on GPUs Molecule...

The Molecular Modeling Database (MMDB) is a database of experimentally determined three-dimensional biomolecular structures and hosted by the National...

Carlo molecular modelling is the application of Monte Carlo methods to molecular problems. These problems can also be modelled by the molecular dynamics...

Molecular mechanics uses classical mechanics to model molecular systems. The Born–Oppenheimer approximation is assumed valid and the potential energy...

Corey-Pauling-Koltun (CPK) models. The earliest efforts to produce models of molecular structure was done by Project MAC using wire-frame models displayed on a cathode...

Molecular models of DNA structures are representations of the molecular geometry and topology of deoxyribonucleic acid (DNA) molecules using one of several...

archetype model for simple yet realistic intermolecular interactions. The Lennard-Jones potential is often used as a building block in molecular models (a.k...

fragments of information that were required to produce a successful molecular model of DNA, their findings had been based on data collected by researchers...

density functional theory (DFT) or Hartree–Fock (HF) models to the Schrödinger equation. Molecular orbital theory and valence bond theory are the foundational...

In the field of molecular modeling, docking is a method which predicts the preferred orientation of one molecule to a second when a ligand and a target...

conceptual and model studies and as a building block in many force fields of real substances. First used in theoretical physics, the molecular dynamics method...

Molecular biology /məˈlɛkjʊlər/ is a branch of biology that seeks to understand the molecular basis of biological activity in and between cells, including...

In chemistry, the ball-and-stick model is a molecular model of a chemical substance which displays both the three-dimensional position of the atoms and...

The Molecular Modelling Toolkit (MMTK) is an open-source software package written in Python, which performs common tasks in molecular modelling. The Molecular...

Atomic, molecular, and optical physics (AMO) is the study of matter–matter and light–matter interactions, at the scale of one or a few atoms and energy...

molecules Molecular biology Molecular design software Molecular engineering Molecular geometry Molecular Hamiltonian Molecular ion Molecular modelling Molecular...

Molecular design software is notable software for molecular modeling, that provides special support for developing molecular models de novo. In contrast...

This is a list of computer programs that use Monte Carlo methods for molecular modeling. Abalone classical Hybrid MC BOSS classical CASINO quantum Cassandra...

Molecular phylogenetics (/məˈlɛkjʊlər ˌfaɪloʊdʒəˈnɛtɪks, mɒ-, moʊ-/) is the branch of phylogeny that analyzes genetic, hereditary molecular differences...

aqueous solutions with explicit solvent, often using molecular dynamics or Monte Carlo methods. The models describe intermolecular forces between water molecules...

the context of chemistry, molecular physics, physical chemistry, and molecular modelling, a force field is a computational model that is used to describe...

Visual Molecular Dynamics (VMD) is a molecular modelling and visualization computer program. VMD is developed mainly as a tool to view and analyze the...

Harry Compton Crick OM FRS (8 June 1916 – 28 July 2004) was an English molecular biologist, biophysicist, and neuroscientist. He, James Watson, Rosalind...

Molecular geometry. Jemmis mno rules Lewis structure Molecular design software Molecular graphics Molecular mechanics Molecular modelling Molecular symmetry...

system: EM – Electron microscopy HM – Homology modeling MD – Molecular dynamics MM – Molecular modelling, molecular orbital visualizing MRI – Magnetic resonance...

In atomic physics, the Bohr model or Rutherford–Bohr model was a model of the atom that incorporated some early quantum concepts. Developed from 1911 to...

Further, because the computations in kinetic models occur serially, strong scaling of traditional molecular simulations to these architectures is exceptionally...