SEARCH Articles Figures Tables Activation energies amino group restricted rotation Configuration interaction restricted active space Conformational restrictions activity Occupation restricted multiple active spaces Occupation restricted multiple active spaces ORMAS) Restricted Active Space Self-Consistent Field Restricted Active Space Self-Consistent Field RASSCF) method Restricted Hartree-Fock activation energies Restricted active space Restricted active space RASSCF Restricted active space SCF Restricted active space configuration Restricted active space configuration interaction approach Restricted active space self-consistent Restricted active space self-consistent field method Restricted active space self-consistent field, RASSCF Restriction-modification system enzyme activities Restrictive active space self-consistent field Restrictive active space self-consistent field RASSCF) Structure-activity relationships conformational restriction