화학공학소재연구정보센터
검색결과 : 6건
No. Article
1 Charge Transfer Effects in the GroEL-GroES Chaperonin Tetramer in Solution
Anisimov VM, Bliznyuk AA
Journal of Physical Chemistry B, 116(22), 6261, 2012
2 Electronic effects in biomolecular simulations: Investigation of the KcsA potassium ion channel
Bliznyuk AA, Rendell AP
Journal of Physical Chemistry B, 108(36), 13866, 2004
3 Comparison of semiempirical and ab initio QM decomposition analyses for the interaction energy between molecules
Cummins PL, Titmuss SJ, Jayatilaka D, Bliznyuk AA, Rendell AP, Gready JE
Chemical Physics Letters, 352(3-4), 245, 2002
4 The potassium ion channel: Comparison of linear scaling semiempirical and molecular mechanics representations of the electrostatic potential
Bliznyuk AA, Rendell AP, Allen TW, Chung SH
Journal of Physical Chemistry B, 105(50), 12674, 2001
5 Comparison of linear-scaling semiempirical methods and combined quantum mechanical/molecular mechanical methods applied to enzyme reactions
Titmuss SJ, Cummins PL, Bliznyuk AA, Rendell AP, Gready JE
Chemical Physics Letters, 320(1-2), 169, 2000
6 A New Approach to Estimation of the Electrostatic Component of the Solvation Energy in Molecular Mechanics Calculations
Bliznyuk AA, Gready JE
Journal of Physical Chemistry, 99(39), 14506, 1995