References

[1]

J. Bostrom, P.O. Norrby & T. Liljefors. Conformational energy penalties of protien bond ligands. J. Comp. Aided. Mol. Des. 12 (1998), 1-14.  

[2]

W.D. Cornell, P. Cieplak, C.I. Bayley, I.R. Gould, K.M. Merz, D.M. Ferguson, D.C. Spellmeyer, T. Fox, J.W. Caldwell & P.A. Kollman. A Second Generation Force Field for the Simulation of Proteins , Nucleic Acids, and Organic Molecules. J. Am. Chem. Soc. 1995, 117, 5179-5197.  

[3]

D.S. Goodsell & A.J. Olsen. Automated Docking to Proteins by Simulated Annealing. Proteins. Struct. Funct. Gen. 8 (1990). pp. 195-202.  

[4]

S. Kirkpatrick, C.C. Gelatt & M.P. Vecchi. Optimization by simulated annealing. Science 220 (1983). pp. 671-680.  

[5]

T. Liljefors, J. Bostrom & P.O. Norrby. Conformational energy of protein-bound ligands. in Rational Molecular Drug Design Research, edited by T. Liljefors, F.S. Jorgensen & P. Krogsgaard-Larsen (1998) pp. 246-263.  

[6]

E.L. Mehler & T. Solmajer. Electrostatic effects in proteins: comparison of dielectric and charge models. Protein Engineering 4(1991). pp. 903-910.  

[7]

M. Vieth, J.D. Hirst & C.L. Brooks. Do active site conformations of small ligands correspond to low free-energy solution structures. J. Comp. Aided Mol. Des. 12(1998), 563-572.