A molecular model is a physical model of an atomistic system that represents molecules and their processes. They play an important role in understanding...
17 KB (1,791 words) - 21:11, 17 April 2024
Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. The methods are used in...
12 KB (1,377 words) - 02:45, 11 February 2024
Molecular models of DNA structures are representations of the molecular geometry and topology of deoxyribonucleic acid (DNA) molecules using one of several...
33 KB (3,740 words) - 02:13, 15 March 2024
Molecular modeling on GPU is the technique of using a graphics processing unit (GPU) for molecular simulations. In 2007, NVIDIA introduced video cards...
10 KB (1,008 words) - 06:05, 4 January 2024
The Molecular Modeling Database (MMDB) is a database of experimentally determined three-dimensional biomolecular structures and hosted by the National...
2 KB (101 words) - 10:44, 6 June 2019
density functional theory (DFT) or Hartree–Fock (HF) models to the Schrödinger equation. Molecular orbital theory and valence bond theory are the foundational...
22 KB (2,943 words) - 18:31, 27 April 2024
Monte Carlo molecular modeling List of software for nanostructures modeling Molecular design software Molecular dynamics Molecular modeling on GPUs Molecule...
18 KB (379 words) - 21:02, 1 April 2024
Carlo molecular modelling is the application of Monte Carlo methods to molecular problems. These problems can also be modelled by the molecular dynamics...
4 KB (403 words) - 14:05, 14 January 2024
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...
33 KB (3,925 words) - 15:31, 6 June 2024
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...
78 KB (9,834 words) - 04:53, 31 March 2024