An exciting but challenging road ahead for computational enzyme design

[1] Advances in Quantum and Molecular Mechanical (QM/MM) Simulations for Organic and Enzymatic Reactions [J]. ACCOUNTS OF CHEMICAL RESEARCH, 2010, 43 (01) : 142 - 151

[2] Advances in laboratory evolution of enzymes [J]. CURRENT OPINION IN CHEMICAL BIOLOGY, 2008, 12 (02) : 151 - 158

[3] Balancing solvation and intramolecular interactions: Toward a consistent generalized born force field [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2006, 128 (11) : 3728 - 3736

[4] Analysis of the class I aldolase binding site architecture based on the crystal structure of 2-deoxyribose-5-phosphate aldolase at 0.99 Å resolution [J]. JOURNAL OF MOLECULAR BIOLOGY, 2004, 343 (04) : 1019 - 1034

[5] Critical analysis of antibody catalysis [J]. ANNUAL REVIEW OF BIOCHEMISTRY, 2000, 69 : 751 - 793

[6] Efficient calculation of configurational entropy from molecular simulations by combining the mutual-information expansion and nearest-neighbor methods [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 2008, 29 (10) : 1605 - 1614

[7] De novo computational design of retro-aldol enzymes [J]. SCIENCE, 2008, 319 (5868) : 1387 - 1391

[8] Design of a novel globular protein fold with atomic-level accuracy [J]. SCIENCE, 2003, 302 (5649) : 1364 - 1368

[9] Observing biological dynamics at atomic resolution using NMR [J]. TRENDS IN BIOCHEMICAL SCIENCES, 2009, 34 (12) : 601 - 611

[10] Ponder JW, 2003, ADV PROTEIN CHEM, V66, P27

[1] Advances in Quantum and Molecular Mechanical (QM/MM) Simulations for Organic and Enzymatic Reactions [J]. ACCOUNTS OF CHEMICAL RESEARCH, 2010, 43 (01) : 142 - 151

[2] Advances in laboratory evolution of enzymes [J]. CURRENT OPINION IN CHEMICAL BIOLOGY, 2008, 12 (02) : 151 - 158

[3] Balancing solvation and intramolecular interactions: Toward a consistent generalized born force field [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2006, 128 (11) : 3728 - 3736

[4] Analysis of the class I aldolase binding site architecture based on the crystal structure of 2-deoxyribose-5-phosphate aldolase at 0.99 Å resolution [J]. JOURNAL OF MOLECULAR BIOLOGY, 2004, 343 (04) : 1019 - 1034

[5] Critical analysis of antibody catalysis [J]. ANNUAL REVIEW OF BIOCHEMISTRY, 2000, 69 : 751 - 793

[6] Efficient calculation of configurational entropy from molecular simulations by combining the mutual-information expansion and nearest-neighbor methods [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 2008, 29 (10) : 1605 - 1614

[7] De novo computational design of retro-aldol enzymes [J]. SCIENCE, 2008, 319 (5868) : 1387 - 1391

[8] Design of a novel globular protein fold with atomic-level accuracy [J]. SCIENCE, 2003, 302 (5649) : 1364 - 1368

[9] Observing biological dynamics at atomic resolution using NMR [J]. TRENDS IN BIOCHEMICAL SCIENCES, 2009, 34 (12) : 601 - 611

[10] Ponder JW, 2003, ADV PROTEIN CHEM, V66, P27