Force Fields

Force Fields (free of charge)

In the context of molecular modelling, molecular simulation and molecular mechanics inter-atomic, inter-bead (for coarse grained), and intra-molecular interactions are represented as functional forms and related parameters which are used to calculate potential energy of the system. We are developer of these parameters for standard and non-standard functions for following chemical spaces -

Small molecules: drugs, chemicals

Polymers, block colpolymers (di, tri, tappered ..), macromolecules

Lipids, biomolecules, peptides (right, left handed helices, different chirality), proteins

2D, 3D - Layered materials, silicon based materials, coatings, paints, additives, ...

If you are working on complex problems related to above fields (chemical space), and facing issues in generating force fields for desired target properties, please contact us. We will be providing you with force fields (for free for standard cases) generated by using our technology platform. We provide force fields for all atom, coarse grained and mesoscale (e.g., dissipative particle dynamics) systems.

Please upload details of your system by using following form. In case you need to sign non-disclosure agreement, please send us email at support@prescience.in

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