Force Field Modelling of Conformational Energies

DOI10.1080/0892702042000270188MaRDI QIDQ4658897zbMATH OpenOpenAlexFDO

Authors Thomas D. Rasmussen, F. Jensen

Publication date 21 March 2005

Published in Molecular Simulation (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1080/0892702042000270188

zbMATH Keywords

Conformational energiesForce field

Mathematics Subject Classification ID

Quantum chaos (81Q50) Molecular physics (81V55)

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Cited in

(7)

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• Comparative study between ONIOM, ab initio and DFT methods, application: and L-fucopyranose
• Geometric and electrostatic modeling using molecular rigidity functions
• Secondary structure elements in polylactic acid models
• Optimal Site Charge Models for Molecular Electrostatic Potentials
• Fluctuating charge force fields: recent developments and applications from small molecules to macromolecular biological systems
• DRF90: a polarizable force field

Describes a project that uses

Uses Software

• AMBER

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