'Potential energy functions' presentation slideshows

Molecular Modeling

Molecular Modeling. The compendium of methods for mimicking the behavior of molecules or molecular systems. Points for Consideration. Remember Molecular modeling forms a model of the real world Thus we are studying the model, not the world

1.52k views • 67 slides

Molecular Dynamics Simulation (a brief introduction)

Molecular Dynamics Simulation (a brief introduction) by Giff Ransom A Digital Laboratory

961 views • 31 slides

Chapter 7

Chapter 7. Work and Energy. Conservation Laws. Mass Electric Charge Conservation of Energy Sum of all forms of energy is conserved. Energy: ability to do work. Forms of Energy. Mechanical Focus for now May be kinetic (associated with motion) or potential (associated with position)

401 views • 30 slides

Force Field Potential Functions

Force Field Potential Functions. The potential functions may be divided into bonded terms , which give the energy contained in the internal degrees of freedom, and non-bonded terms , which describe interactions between molecules . Potentials between non-bonded atoms.

429 views • 27 slides

Chemistry 6440 / 7440

Chemistry 6440 / 7440. Molecular Mechanics. Resources. Grant and Richards, Chapter 3 Leach, Chapter 3 Jensen, Chapter 2 Cramer, Chapter 2 Burkert and Allinger, Molecular Mechanics (ACS Monograph 177, 1982) Bowen and Allinger, Rev. Comput. Chem. 2, 81 (1991). Empirical Force Fields.

385 views • 25 slides

Molecular Mechanics

Divya K m Assistant Professor Dept of Chemistry NSS college Pandalam. Molecular Mechanics. Empirical Force Fields. PES calculated using empirical potentials fitted to experimental and calculated data composed of stretch, bend, torsion and non-bonded components

526 views • 24 slides

Modeling and Understanding Complex Biomolecular Systems and Processes.

Modeling and Understanding Complex Biomolecular Systems and Processes. Application in Nanosciences, Biotechnology and Biomedicine. Bogdan Lesyng ICM and Faculty of Physiscs, Warsaw University (http://www.icm.edu.pl/~lesyng/) and European Centre of Excellence for

360 views • 21 slides

422 views • 18 slides