-
1
-
-
14244272868
-
PHENIX: Building new software for automated crystallographic structure determination
-
10.1107/S0907444902016657
-
Adams PD, Grosse-Kunstleve RW, Hung LW, Ioerger TR, McCoy AJ, Moriarty NW, Read RJ, Sacchettini JC, Sauter NK, Terwilliger TC (2002) PHENIX: building new software for automated crystallographic structure determination. Acta Crystallogr D: Biol Crystallogr 58:1948-1954
-
(2002)
Acta Crystallogr D: Biol Crystallogr
, vol.58
, pp. 1948-1954
-
-
Adams, P.D.1
Grosse-Kunstleve, R.W.2
Hung, L.W.3
Ioerger, T.R.4
McCoy, A.J.5
Moriarty, N.W.6
Read, R.J.7
Sacchettini, J.C.8
Sauter, N.K.9
Terwilliger, T.C.10
-
2
-
-
0035843136
-
Combinatorial and computational challenges for biocatalyst design
-
10.1038/35051731 10.1038/35051731 1:CAS:528:DC%2BD3MXlvFWhtw%3D%3D
-
Arnold FH (2001) Combinatorial and computational challenges for biocatalyst design. Nature 409(6817):253-257. doi: 10.1038/35051731
-
(2001)
Nature
, vol.409
, Issue.6817
, pp. 253-257
-
-
Arnold, F.H.1
-
3
-
-
39849090377
-
Complete inversion of enantioselectivity towards acetylated tertiary alcohols by a double mutant of a Bacillus subtilis esterase
-
10.1002/anie.200704606
-
Bartsch S, Kourist R, Bornscheuer UT (2008) Complete inversion of enantioselectivity towards acetylated tertiary alcohols by a double mutant of a Bacillus subtilis esterase. Angew Chem Int Ed 47(8):1508-1511
-
(2008)
Angew Chem Int Ed
, vol.47
, Issue.8
, pp. 1508-1511
-
-
Bartsch, S.1
Kourist, R.2
Bornscheuer, U.T.3
-
4
-
-
0034453325
-
Rapid screening of hydrolases for the enantioselective conversion of "difficult-to-resolve" substrates
-
10.1016/S0957-4166(00)00465-1 1:CAS:528:DC%2BD3MXkslektQ%3D%3D
-
Baumann M, Hauer BH, Bornscheuer UT (2000) Rapid screening of hydrolases for the enantioselective conversion of "difficult-to-resolve" substrates. Tetrahedron: Asymmetry 11(23):4781-4790
-
(2000)
Tetrahedron: Asymmetry
, vol.11
, Issue.23
, pp. 4781-4790
-
-
Baumann, M.1
Hauer, B.H.2
Bornscheuer, U.T.3
-
5
-
-
0036269536
-
Synthesis of chiral drug substances
-
10.1055/s-2002-31890
-
Beck G (2002) Synthesis of chiral drug substances. Synlett 6:837-850
-
(2002)
Synlett
, vol.6
, pp. 837-850
-
-
Beck, G.1
-
6
-
-
33750587438
-
Molecular-dynamics with coupling to an external bath
-
10.1063/1.448118 1:CAS:528:DyaL2cXmtlGksbY%3D
-
Berendsen HJC, Postma JPM, Vangunsteren WF, Dinola A, Haak JR (1984) Molecular-dynamics with coupling to an external bath. J Chem Phys 81(8):3684-3690
-
(1984)
J Chem Phys
, vol.81
, Issue.8
, pp. 3684-3690
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Vangunsteren, W.F.3
Dinola, A.4
Haak, J.R.5
-
7
-
-
67650287695
-
In the light of directed evolution: Pathways of adaptive protein evolution
-
10.1073/pnas.0901522106 1:CAS:528:DC%2BD1MXotFKnsb8%3D
-
Bloom JD, Arnold FH (2009) In the light of directed evolution: pathways of adaptive protein evolution. Proc Natl Acad Sci U S A 106:9995-10000
-
(2009)
Proc Natl Acad Sci U S A
, vol.106
, pp. 9995-10000
-
-
Bloom, J.D.1
Arnold, F.H.2
-
8
-
-
37049014272
-
Version 1.2 of the crystallography and NMR system
-
10.1038/nprot.2007.406 10.1038/nprot.2007.406 1:CAS:528: DC%2BD2sXhtlSlsrzK
-
Brunger AT (2007) Version 1.2 of the crystallography and NMR system. Nat Protoc 2(11):2728-2733. doi: 10.1038/nprot.2007.406
-
(2007)
Nat Protoc
, vol.2
, Issue.11
, pp. 2728-2733
-
-
Brunger, A.T.1
-
9
-
-
79953310914
-
Optimizing non-natural protein function with directed evolution
-
10.1016/j.cbpa.2010.11.020 1:CAS:528:DC%2BC3MXksFKnt7w%3D
-
Brustad EM, Arnold FH (2011) Optimizing non-natural protein function with directed evolution. Curr Opin Chem Biol 15(2):201-210
-
(2011)
Curr Opin Chem Biol
, vol.15
, Issue.2
, pp. 201-210
-
-
Brustad, E.M.1
Arnold, F.H.2
-
10
-
-
13244281317
-
Coot: Model-building tools for molecular graphics
-
10.1107/s0907444904019158 10.1107/S0907444904019158
-
Emsley P, Cowtan K (2004) Coot: model-building tools for molecular graphics. Acta Crystallogr D: Biol Crystallogr 60:2126-2132. doi: 10.1107/s0907444904019158
-
(2004)
Acta Crystallogr D: Biol Crystallogr
, vol.60
, pp. 2126-2132
-
-
Emsley, P.1
Cowtan, K.2
-
11
-
-
77952562463
-
Directed evolution of an enantioselective lipase with broad substrate scope for hydrolysis of alpha-substituted esters
-
10.1021/Ja100593j 10.1021/ja100593j
-
Engstrom K, Nyhlen J, Sandstrom AG, Backvall JE (2010) Directed evolution of an enantioselective lipase with broad substrate scope for hydrolysis of alpha-substituted esters. J Am Chem Soc 132(20):7038-7042. doi: 10.1021/Ja100593j
-
(2010)
J Am Chem Soc
, vol.132
, Issue.20
, pp. 7038-7042
-
-
Engstrom, K.1
Nyhlen, J.2
Sandstrom, A.G.3
Backvall, J.E.4
-
12
-
-
80052260246
-
Quantitative prediction of enantioselectivity of Candida antarctica lipase B by combining docking simulations and quantitative structure-activity relationship (QSAR) analysis
-
10.1016/j.molcatb.2011.06.011 10.1016/j.molcatb.2011.06.011 1:CAS:528:DC%2BC3MXhtV2ntb3L
-
Gu JL, Liu J, Yu HW (2011) Quantitative prediction of enantioselectivity of Candida antarctica lipase B by combining docking simulations and quantitative structure-activity relationship (QSAR) analysis. J Mol Catal B Enzym 72(3-4):238-247. doi: 10.1016/j.molcatb.2011.06.011
-
(2011)
J Mol Catal B Enzym
, vol.72
, Issue.3-4
, pp. 238-247
-
-
Gu, J.L.1
Liu, J.2
Yu, H.W.3
-
13
-
-
0031473847
-
SWISS-MODEL and the Swiss-PdbViewer: An environment for comparative protein modeling
-
10.1002/elps.1150181505 1:CAS:528:DyaK1cXhvFaks70%3D
-
Guex N, Peitsch MC (1997) SWISS-MODEL and the Swiss-PdbViewer: an environment for comparative protein modeling. Electrophoresis 18(15):2714-2723
-
(1997)
Electrophoresis
, vol.18
, Issue.15
, pp. 2714-2723
-
-
Guex, N.1
Peitsch, M.C.2
-
14
-
-
0000388705
-
LINCS: A linear constraint solver for molecular simulations
-
10.1002/(SICI)1096-987X(199709)18:12<1463: AID-JCC4>3.0.CO;2-H 1:CAS:528:DyaK2sXlvV2nu7g%3D
-
Hess B, Bekker H, Berendsen HJC, Fraaije JGEM (1997) LINCS: a linear constraint solver for molecular simulations. J Comput Chem 18(12):1463-1472
-
(1997)
J Comput Chem
, vol.18
, Issue.12
, pp. 1463-1472
-
-
Hess, B.1
Bekker, H.2
Berendsen, H.J.C.3
Fraaije, J.4
-
15
-
-
33947155728
-
Inverting enantioselectivity of Burkholderia gladioli esterase EstB by directed and designed evolution
-
10.1016/j.jbiotec.2006.10.007 1:CAS:528:DC%2BD2sXjtFGisb8%3D
-
Ivancic M, Valinger G, Gruber K, Schwab H (2007) Inverting enantioselectivity of Burkholderia gladioli esterase EstB by directed and designed evolution. J Biotechnol 129(1):109-122
-
(2007)
J Biotechnol
, vol.129
, Issue.1
, pp. 109-122
-
-
Ivancic, M.1
Valinger, G.2
Gruber, K.3
Schwab, H.4
-
16
-
-
50249136103
-
Automated macromolecular model building for X-ray crystallography using ARP/wARP version 7
-
10.1038/nprot.2008.91 10.1038/nprot.2008.91 1:CAS:528: DC%2BD1cXotFaku7s%3D
-
Langer G, Cohen SX, Lamzin VS, Perrakis A (2008) Automated macromolecular model building for X-ray crystallography using ARP/wARP version 7. Nat Protoc 3(7):1171-1179. doi: 10.1038/nprot.2008.91
-
(2008)
Nat Protoc
, vol.3
, Issue.7
, pp. 1171-1179
-
-
Langer, G.1
Cohen, S.X.2
Lamzin, V.S.3
Perrakis, A.4
-
17
-
-
0000243829
-
Procheck - A program to check the stereochemical quality of protein structures
-
10.1107/S0021889892009944 1:CAS:528:DyaK3sXit12lurY%3D
-
Laskowski RA, Macarthur MW, Moss DS, Thornton JM (1993) Procheck - a program to check the stereochemical quality of protein structures. J Appl Crystallogr 26:283-291
-
(1993)
J Appl Crystallogr
, vol.26
, pp. 283-291
-
-
Laskowski, R.A.1
MacArthur, M.W.2
Moss, D.S.3
Thornton, J.M.4
-
18
-
-
77649188313
-
Cloning, screening and characterization of ester hydrolases with enantioselectivity in typical bacteria
-
10.1016/j.procbio.2009.11.004 10.1016/j.procbio.2009.11.004 1:CAS:528:DC%2BC3cXjtVSrsb4%3D
-
Liu J, Tang XL, Wang B, Yu HW, Min H (2010) Cloning, screening and characterization of ester hydrolases with enantioselectivity in typical bacteria. Process Biochem 45(4):475-480. doi: 10.1016/j.procbio.2009.11.004
-
(2010)
Process Biochem
, vol.45
, Issue.4
, pp. 475-480
-
-
Liu, J.1
Tang, X.L.2
Wang, B.3
Yu, H.W.4
Min, H.5
-
19
-
-
0030924992
-
Refinement of macromolecular structures by the maximum-likelihood method
-
10.1107/S0907444996012255 1:STN:280:DC%2BD2czpsFegsw%3D%3D
-
Murshudov GN, Vagin AA, Dodson EJ (1997) Refinement of macromolecular structures by the maximum-likelihood method. Acta Crystallogr D: Biol Crystallogr 53:240-255
-
(1997)
Acta Crystallogr D: Biol Crystallogr
, vol.53
, pp. 240-255
-
-
Murshudov, G.N.1
Vagin, A.A.2
Dodson, E.J.3
-
20
-
-
54349122272
-
Influence of delta-functional groups on the enantiorecognition of secondary alcohols by Candida antarctica lipase B
-
10.1002/cbic.200800036 10.1002/cbic.200800036 1:CAS:528: DC%2BD1cXhtVegs7nE
-
Nyhlen J, Martin-Matute B, Sandstrom AG, Bocola M, Backvall JE (2008) Influence of delta-functional groups on the enantiorecognition of secondary alcohols by Candida antarctica lipase B. ChemBioChem 9(12):1968-1974. doi: 10.1002/cbic.200800036
-
(2008)
ChemBioChem
, vol.9
, Issue.12
, pp. 1968-1974
-
-
Nyhlen, J.1
Martin-Matute, B.2
Sandstrom, A.G.3
Bocola, M.4
Backvall, J.E.5
-
21
-
-
79952164198
-
Dynamic kinetic resolution of a wide range of secondary alcohols: Cooperation of dicarbonylchlorido (pentabenzylcyclopentadienyl) ruthenium and CAL-B
-
10.1002/ejoc.201001703
-
Päiviö M, Mavrynsky D, Leino R, Kanerva LT (2011) Dynamic kinetic resolution of a wide range of secondary alcohols: cooperation of dicarbonylchlorido (pentabenzylcyclopentadienyl) ruthenium and CAL-B. Eur J Org Chem 2011(8):1452-1457
-
(2011)
Eur J Org Chem
, vol.2011
, Issue.8
, pp. 1452-1457
-
-
Päiviö, M.1
Mavrynsky, D.2
Leino, R.3
Kanerva, L.T.4
-
23
-
-
0033908030
-
Designed evolution of enzymatic properties
-
10.1016/S0958-1669(00)00107-5 1:CAS:528:DC%2BD3cXmtV2lt74%3D
-
Petrounia IP, Arnold FH (2000) Designed evolution of enzymatic properties. Curr Opin Biotechnol 11(4):325-330
-
(2000)
Curr Opin Biotechnol
, vol.11
, Issue.4
, pp. 325-330
-
-
Petrounia, I.P.1
Arnold, F.H.2
-
24
-
-
0005825607
-
Indicator characteristics of bromothymol blue derivatives
-
10.1016/0039-9140(91)80058-8 1:CAS:528:DyaK3MXisFymu7s%3D
-
Puschett JB, Rao BS, Karandikar BM, Matyjaszewski K (1991) Indicator characteristics of bromothymol blue derivatives. Talanta 38(3):335-338
-
(1991)
Talanta
, vol.38
, Issue.3
, pp. 335-338
-
-
Puschett, J.B.1
Rao, B.S.2
Karandikar, B.M.3
Matyjaszewski, K.4
-
25
-
-
4043084201
-
Changing the enantioselectivity of enzymes by directed evolution
-
10.1016/S0076-6879(04)88021-2 1:CAS:528:DC%2BD2MXnvVyksQ%3D%3D
-
Reetz MT (2004) Changing the enantioselectivity of enzymes by directed evolution. Protein Eng 388:238-256
-
(2004)
Protein Eng
, vol.388
, pp. 238-256
-
-
Reetz, M.T.1
-
26
-
-
33846302851
-
Learning from directed evolution: Further lessons from theoretical investigations into cooperative mutations in lipase enantioselectivity
-
10.1002/cbic.200600359 10.1002/cbic.200600359 1:CAS:528: DC%2BD2sXhtFCmsrc%3D
-
Reetz MT, Puls M, Carballeira JD, Vogel A, Jaeger KE, Eggert T, Thiel W, Bocola M, Otte N (2007) Learning from directed evolution: further lessons from theoretical investigations into cooperative mutations in lipase enantioselectivity. ChemBioChem 8(1):106-112. doi: 10.1002/cbic.200600359
-
(2007)
ChemBioChem
, vol.8
, Issue.1
, pp. 106-112
-
-
Reetz, M.T.1
Puls, M.2
Carballeira, J.D.3
Vogel, A.4
Jaeger, K.E.5
Eggert, T.6
Thiel, W.7
Bocola, M.8
Otte, N.9
-
27
-
-
67650547522
-
Directed evolution of an enantioselective epoxide hydrolase: Uncovering the source of enantioselectivity at each evolutionary stage
-
10.1021/ja809673d 10.1021/ja809673d 1:CAS:528:DC%2BD1MXlslSmtLo%3D
-
Reetz MT, Bocola M, Wang LW, Sanchis J, Cronin A, Arand M, Zou J, Archelas A, Bottalla AL, Naworyta A, Mowbray SL (2009) Directed evolution of an enantioselective epoxide hydrolase: uncovering the source of enantioselectivity at each evolutionary stage. J Am Chem Soc 131(21):7334-7343. doi: 10.1021/ja809673d
-
(2009)
J Am Chem Soc
, vol.131
, Issue.21
, pp. 7334-7343
-
-
Reetz, M.T.1
Bocola, M.2
Wang, L.W.3
Sanchis, J.4
Cronin, A.5
Arand, M.6
Zou, J.7
Archelas, A.8
Bottalla, A.L.9
Naworyta, A.10
Mowbray, S.L.11
-
28
-
-
0035843170
-
Industrial biocatalysis today and tomorrow
-
10.1038/35051736 1:CAS:528:DC%2BD3MXlvFWhug%3D%3D
-
Schmid A, Dordick JS, Hauer B, Kiener A, Wubbolts M, Witholt B (2001) Industrial biocatalysis today and tomorrow. Nature 409(6817):258-268
-
(2001)
Nature
, vol.409
, Issue.6817
, pp. 258-268
-
-
Schmid, A.1
Dordick, J.S.2
Hauer, B.3
Kiener, A.4
Wubbolts, M.5
Witholt, B.6
-
29
-
-
0036793095
-
Substructure solution with SHELXD
-
10.1107/s0907444902011678 10.1107/S0907444902011678
-
Schneider TR, Sheldrick GM (2002) Substructure solution with SHELXD. Acta Crystallogr D: Biol Crystallogr 58:1772-1779. doi: 10.1107/s0907444902011678
-
(2002)
Acta Crystallogr D: Biol Crystallogr
, vol.58
, pp. 1772-1779
-
-
Schneider, T.R.1
Sheldrick, G.M.2
-
30
-
-
37549039510
-
A short history of SHELX
-
10.1107/s0108767307043930 10.1107/S0108767307043930 1:CAS:528: DC%2BD2sXhsVGhurzO
-
Sheldrick GM (2008) A short history of SHELX. Acta Crystallogr A 64:112-122. doi: 10.1107/s0108767307043930
-
(2008)
Acta Crystallogr A
, vol.64
, pp. 112-122
-
-
Sheldrick, G.M.1
-
31
-
-
77950793231
-
Experimental phasing with SHELXC/D/E: Combining chain tracing with density modification
-
10.1107/s0907444909038360 10.1107/S0907444909038360 1:CAS:528: DC%2BC3cXksFKisb4%3D
-
Sheldrick GM (2010) Experimental phasing with SHELXC/D/E: combining chain tracing with density modification. Acta Crystallogr D: Biol Crystallogr 66:479-485. doi: 10.1107/s0907444909038360
-
(2010)
Acta Crystallogr D: Biol Crystallogr
, vol.66
, pp. 479-485
-
-
Sheldrick, G.M.1
-
32
-
-
0036268465
-
Geometric criteria of hydrogen bonds in proteins and identification of 'bifurcated' hydrogen bonds
-
10.1093/protein/15.5.359 1:CAS:528:DC%2BD38Xks12jsr4%3D
-
Torshin IY, Weber IT, Harrison RW (2002) Geometric criteria of hydrogen bonds in proteins and identification of 'bifurcated' hydrogen bonds. Protein Eng 15(5):359-363
-
(2002)
Protein Eng
, vol.15
, Issue.5
, pp. 359-363
-
-
Torshin, I.Y.1
Weber, I.T.2
Harrison, R.W.3
-
33
-
-
27344454932
-
GROMACS: Fast, flexible, and free
-
10.1002/Jcc.20291 10.1002/jcc.20291
-
Van der Spoel D, Lindahl E, Hess B, Groenhof G, Mark AE, Berendsen HJC (2005) GROMACS: fast, flexible, and free. J Comput Chem 26(16):1701-1718. doi: 10.1002/Jcc.20291
-
(2005)
J Comput Chem
, vol.26
, Issue.16
, pp. 1701-1718
-
-
Van Der Spoel, D.1
Lindahl, E.2
Hess, B.3
Groenhof, G.4
Mark, A.E.5
Berendsen, H.J.C.6
-
34
-
-
67651091590
-
A new high-throughput screening method for determining active and enantioselective hydrolases
-
10.1016/j.bej.2009.06.002 10.1016/j.bej.2009.06.002 1:CAS:528: DC%2BD1MXovF2kurk%3D
-
Wang B, Tang XL, Ren GF, Liu J, Yu HW (2009) A new high-throughput screening method for determining active and enantioselective hydrolases. Biochem Eng J 46(3):345-349. doi: 10.1016/j.bej.2009.06.002
-
(2009)
Biochem Eng J
, vol.46
, Issue.3
, pp. 345-349
-
-
Wang, B.1
Tang, X.L.2
Ren, G.F.3
Liu, J.4
Yu, H.W.5
-
35
-
-
33845550636
-
Resolution of chiral alcohols with mandelic-acid
-
10.1021/jo00168a035 1:CAS:528:DyaL3sXltl2ntrs%3D
-
Whitesell JK, Reynolds D (1983) Resolution of chiral alcohols with mandelic-acid. J Org Chem 48(20):3548-3551
-
(1983)
J Org Chem
, vol.48
, Issue.20
, pp. 3548-3551
-
-
Whitesell, J.K.1
Reynolds, D.2
-
36
-
-
0842278671
-
Laboratory evolution of cytochrome P450BM-3 monooxygenase for organic cosolvents
-
10.1002/Bit.10896 10.1002/bit.10896 1:CAS:528:DC%2BD2cXhsVWjsbs%3D
-
Wong TS, Arnold FH, Schwaneberg U (2004) Laboratory evolution of cytochrome P450BM-3 monooxygenase for organic cosolvents. Biotechnol Bioeng 85(3):351-358. doi: 10.1002/Bit.10896
-
(2004)
Biotechnol Bioeng
, vol.85
, Issue.3
, pp. 351-358
-
-
Wong, T.S.1
Arnold, F.H.2
Schwaneberg, U.3
-
37
-
-
0001496799
-
Chiral discrimination in the structures and energetics of association of stereoisomeric salts of mandelic-acid with alpha-phenethylamine, ephedrine, and pseudoephedrine
-
10.1021/ja00213a033 1:CAS:528:DyaL1cXhtFWntLg%3D
-
Zingg SP, Arnett EM, Mcphail AT, Bothnerby AA, Gilkerson WR (1988) Chiral discrimination in the structures and energetics of association of stereoisomeric salts of mandelic-acid with alpha-phenethylamine, ephedrine, and pseudoephedrine. J Am Chem Soc 110(5):1565-1580
-
(1988)
J Am Chem Soc
, vol.110
, Issue.5
, pp. 1565-1580
-
-
Zingg, S.P.1
Arnett, E.M.2
McPhail, A.T.3
Bothnerby, A.A.4
Gilkerson, W.R.5
|