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This search page is mainly useful for comparing different energy related data for all the base pair geometries. You can select check boxes for required energy parameters (link to the general info page energy section) on the basis of which you want to compare different base pairs present in the database, and then specify the energy range in the box provided. It will give you a list of base pairs having given energy parameters. Note: Specify energy ranges like <-10.0 (value less then -10 kcal/mol) or >-15.0 (value greater than -15 kcal/mol) or <-10.0;>-15.0 (value ranges in between -10 kcal/mol and -15 kcal/mol) For negative numbers "<" gives higher number with negative sign and ">" gives lower number with negative sign. For more details
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Quantitative Search based on Energy
Energy calculation method
HF/6-31G(d,p)
MP2/aug-cc-pVDZ
RI-MP2/aug-cc-pVDZ
E_interaction
E_HF
E_correlation
E_total
E_deformation
Energy decomposition method
Kitaura-Morokuma
DFT_SAPT
E_interaction
E_electrostatic
E_exchange repulsion
E_polarization
E_charge transfer
E_higher order coupling
BSSE
E_induction
E_dispersion
Qualitative Search based on Energy
Choose the type of base pair you want:
Weak
Medium
Strong
RNABP COGEST version 1.0 © CCNSB, IIIT Hyderabad 2014