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

where physical molecular models provided major scientific insights. Molecular design software Molecular graphics Molecular modelling Ribbon diagram Software...

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

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

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

Molecular Visualization Resources Short list of Molecular Modeling resources OpenScience Biological Magnetic Resonance Data Bank Materials modelling and...

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

Space-filling model – Type of 3D molecular model Molecular modelling – Discovering chemical properties by physical simulations Molecular geometry – Study...

Energy approximations SN - Space Navigation Molecule editor Molecular modelling Molecular modeling on GPUs Protein design Drug design Force field (chemistry)...

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...

(2001). Molecular Modelling: Principles and Applications (2nd ed.). Prentice Hall. ISBN 978-0-582-38210-7. Schlick T (2002). Molecular Modeling and Simulation...

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

interactions by quantum mechanical molecular modelling, providing more precise calculations of binding energies. Molecular dynamics has also been applied...

formats and manage molecular data. It serves as a chemical expert system, widely used in fields such as cheminformatics, molecular modelling, and computational...

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

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

Modelling biological systems is a significant task of systems biology and mathematical biology. Computational systems biology aims to develop and use...

importance of molecular biology. Mechanics of biological tissues Theoretical enzymology and enzyme kinetics Cancer modelling and simulation Modelling the movement...

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

company founded by Anthony Nicholls in 1997. It develops large-scale molecular modelling applications and toolkits. Following OpenEye's acquisition by Cadence...

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

Three-dimensional output is used to build molecular models, usually as part of molecular modelling software packages. Database molecular editors such as Leatherface...

The Simplified Molecular Input Line Entry System (SMILES) is a specification in the form of a line notation for describing the structure of chemical species...

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

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

applications in molecular modelling, the Mie substances are mostly relevant for modelling small molecules, e.g. noble gases, and for coarse grain modelling, where...

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

MacroModel is a computer program for molecular modelling of organic compounds and biopolymers. It features various chemistry force fields, plus energy...

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...

in the docking calculations. AutoDock Molecular modelling Comparison of software for molecular mechanics modeling Kuntz, ID; Blaney, JM; Oatley, SJ; Langridge...