TY - JOUR AU - Kazlauskas, R. J. AU - Weber, H. K. PY - 1998 DA - 1998// TI - Improving hydrolases for organic synthesis JO - Curr Opin Chem Biol VL - 2 UR - https://doi.org/10.1016/S1367-5931(98)80043-4 DO - 10.1016/S1367-5931(98)80043-4 ID - Kazlauskas1998 ER - TY - BOOK AU - Bornscheuer, U. T. AU - Kazlauskas, R. J. PY - 1999 DA - 1999// TI - Hydrolases in organic synthesis: regio- and stereolelective biotransformations PB - Wiley-VCH CY - Weinheim ID - Bornscheuer1999 ER - TY - JOUR AU - Schmid, R. D. AU - Verger, R. PY - 1998 DA - 1998// TI - Lipases: Interfacial enzymes with attractive applications JO - Angew Chem, Int Edit VL - 37 UR - https://doi.org/3.0.CO;2-V DO - 3.0.CO;2-V ID - Schmid1998 ER - TY - JOUR AU - Jaeger, K. E. AU - Eggert, T. PY - 2002 DA - 2002// TI - Lipases for biotechnology JO - Curr. Opin. Biotechnol VL - 13 UR - https://doi.org/10.1016/S0958-1669(02)00341-5 DO - 10.1016/S0958-1669(02)00341-5 ID - Jaeger2002 ER - TY - JOUR AU - Schrag, J. D. AU - Cygler, M. PY - 1997 DA - 1997// TI - Lipases and alpha/beta hydrolase fold JO - Lipases, Part A VL - 284 UR - https://doi.org/10.1016/S0076-6879(97)84006-2 DO - 10.1016/S0076-6879(97)84006-2 ID - Schrag1997 ER - TY - JOUR AU - Ollis, D. L. AU - Cheah, E. AU - Cygler, M. AU - Dijkstra, B. AU - Frolow, F. AU - Franken, S. M. AU - Harel, M. AU - Remington, S. J. AU - Silman, I. AU - Schrag, J. PY - 1992 DA - 1992// TI - The Alpha/Beta-Hydrolase Fold JO - Protein Eng VL - 5 UR - https://doi.org/10.1093/protein/5.3.197 DO - 10.1093/protein/5.3.197 ID - Ollis1992 ER - TY - JOUR AU - Warshel, A. AU - Narayszabo, G. AU - Sussman, F. AU - Hwang, J. K. PY - 1989 DA - 1989// TI - How Do Serine Proteases Really Work JO - Biochemistry VL - 28 UR - https://doi.org/10.1021/bi00435a001 DO - 10.1021/bi00435a001 ID - Warshel1989 ER - TY - JOUR AU - Verger, R. PY - 1997 DA - 1997// TI - "Interfacial activation" of lipases: facts and artefacts JO - Trends Biotechnol VL - 15 UR - https://doi.org/10.1016/S0167-7799(96)10064-0 DO - 10.1016/S0167-7799(96)10064-0 ID - Verger1997 ER - TY - JOUR AU - Brady, L. AU - Brzozowski, A. M. AU - Derewenda, Z. S. AU - Dodson, E. AU - Dodson, G. AU - Tolley, S. AU - Turkenburg, J. P. AU - Christiansen, L. AU - Hugejensen, B. AU - Norskov, L. PY - 1990 DA - 1990// TI - A Serine Protease Triad Forms the Catalytic Center of a Triacylglycerol Lipase JO - Nature VL - 343 UR - https://doi.org/10.1038/343767a0 DO - 10.1038/343767a0 ID - Brady1990 ER - TY - JOUR AU - Sarda, L. AU - Desnuelle, P. PY - 1958 DA - 1958// TI - Action De La Lipase Pancreatique Sur Les Esters En Emulsion JO - Biochim Biophys Acta VL - 30 UR - https://doi.org/10.1016/0006-3002(58)90097-0 DO - 10.1016/0006-3002(58)90097-0 ID - Sarda1958 ER - TY - JOUR AU - Verger, R. PY - 1980 DA - 1980// TI - Enzyme kinetics of lipolysis JO - Methods Enzymol VL - 64 UR - https://doi.org/10.1016/S0076-6879(80)64016-6 DO - 10.1016/S0076-6879(80)64016-6 ID - Verger1980 ER - TY - JOUR AU - Vantilbeurgh, H. AU - Egloff, M. P. AU - Martinez, C. AU - Rugani, N. AU - Verger, R. AU - Cambillau, C. PY - 1993 DA - 1993// TI - Interfacial Activation of the Lipase Procolipase Complex by Mixed Micelles Revealed by X-Ray Crystallography JO - Nature VL - 362 UR - https://doi.org/10.1038/362814a0 DO - 10.1038/362814a0 ID - Vantilbeurgh1993 ER - TY - JOUR AU - Derewenda, Z. S. PY - 1994 DA - 1994// TI - Structure and Function of Lipases JO - Adv Protein Chem VL - 45 UR - https://doi.org/10.1016/S0065-3233(08)60637-3 DO - 10.1016/S0065-3233(08)60637-3 ID - Derewenda1994 ER - TY - JOUR AU - Schrag, J. D. AU - Li, Y. AU - Cygler, M. AU - Lang, D. AU - Burgdorf, T. AU - Hecht, H. J. AU - Schmid, R. AU - Schomburg, D. AU - Rydel, T. J. AU - Oliver, J. D. PY - 1997 DA - 1997// TI - The open conformation of a Pseudomonas lipase JO - Structure VL - 5 UR - https://doi.org/10.1016/S0969-2126(97)00178-0 DO - 10.1016/S0969-2126(97)00178-0 ID - Schrag1997 ER - TY - JOUR AU - El Khattabi, M. AU - Van Gelder, P. AU - Bitter, W. AU - Tommassen, J. PY - 2003 DA - 2003// TI - Role of the calcium ion and the disulfide bond in the Burkholderia glumae lipase JO - J Mol Catal B:Enzym VL - 22 UR - https://doi.org/10.1016/S1381-1177(03)00047-X DO - 10.1016/S1381-1177(03)00047-X ID - El Khattabi2003 ER - TY - JOUR AU - Tanaka, A. AU - Sugimoto, H. AU - Muta, Y. AU - Mizuno, T. AU - Senoo, K. AU - Obata, H. AU - Inouye, K. PY - 2003 DA - 2003// TI - Differential scanning Calorimetry of the effects of Ca2+ on the thermal unfolding of Pseudomonas cepacia lipase JO - Biosci Biotechnol Biochem VL - 67 UR - https://doi.org/10.1271/bbb.67.207 DO - 10.1271/bbb.67.207 ID - Tanaka2003 ER - TY - JOUR AU - Lang, D. AU - Hofmann, B. AU - Haalck, L. AU - Hecht, H. J. AU - Spener, F. AU - Schmid, R. D. AU - Schomburg, D. PY - 1996 DA - 1996// TI - Crystal structure of a bacterial lipase from Chromobacterium viscosum ATCC 6918 refined at 1.6 angstrom resolution JO - J Mol Biol VL - 259 UR - https://doi.org/10.1006/jmbi.1996.0352 DO - 10.1006/jmbi.1996.0352 ID - Lang1996 ER - TY - JOUR AU - Thuren, T. PY - 1988 DA - 1988// TI - A Model for the Molecular Mechanism of Interfacial Activation of Phospholipase-A2 Supporting the Substrate Theory JO - FEBS Lett VL - 229 UR - https://doi.org/10.1016/0014-5793(88)80805-6 DO - 10.1016/0014-5793(88)80805-6 ID - Thuren1988 ER - TY - JOUR AU - Brockman, H. L. AU - Law, J. H. AU - Kezdy, F. J. PY - 1973 DA - 1973// TI - Catalysis by Adsorbed Enzymes – Hydrolysis of Tripropionin by Pancreatic Lipase Adsorbed to Siliconized Glass Beads JO - J Biol Chem VL - 248 ID - Brockman1973 ER - TY - JOUR AU - Grochulski, P. AU - Li, Y. AU - Schrag, J. D. AU - Cygler, M. PY - 1994 DA - 1994// TI - 2 Conformational States of Candida-Rugosa Lipase JO - Protein Sci VL - 3 UR - https://doi.org/10.1002/pro.5560030111 DO - 10.1002/pro.5560030111 ID - Grochulski1994 ER - TY - JOUR AU - Brzozowski, A. M. AU - Derewenda, U. AU - Derewenda, Z. S. AU - Dodson, G. G. AU - Lawson, D. M. AU - Turkenburg, J. P. AU - Bjorkling, F. AU - Hugejensen, B. AU - Patkar, S. A. AU - Thim, L. PY - 1991 DA - 1991// TI - A Model for Interfacial Activation in Lipases from the Structure of a Fungal Lipase-Inhibitor Complex JO - Nature VL - 351 UR - https://doi.org/10.1038/351491a0 DO - 10.1038/351491a0 ID - Brzozowski1991 ER - TY - JOUR AU - Nardini, M. AU - Lang, D. A. AU - Liebeton, K. AU - Jaeger, K. E. AU - Dijkstra, B. M. PY - 2000 DA - 2000// TI - Crystal structure of Pseudomonas aeruginosa lipase in the open conformation – The prototype for family I.1 of bacterial lipases JO - J Biol Chem VL - 275 UR - https://doi.org/10.1074/jbc.M003903200 DO - 10.1074/jbc.M003903200 ID - Nardini2000 ER - TY - JOUR AU - Luic, M. AU - Tomic, S. AU - Lescic, I. AU - Ljubovic, E. AU - Sepac, D. AU - Sunjic, V. AU - Vitale, L. AU - Saenger, W. AU - Kojic-Prodic, B. PY - 2001 DA - 2001// TI - Complex of Burkholderia cepacia lipase with transition state analogue of 1-phenoxy-2-acetoxybutane – Biocatalytic, structural and modelling study JO - Eur J Biochem VL - 268 UR - https://doi.org/10.1046/j.1432-1327.2001.02303.x DO - 10.1046/j.1432-1327.2001.02303.x ID - Luic2001 ER - TY - JOUR AU - Mezzetti, A. AU - Schrag, J. D. AU - Cheong, C. S. AU - Kazlauskas, R. J. PY - 2005 DA - 2005// TI - Mirror-image packing in enantiomer discrimination: Molecular basis for the enantioselectivity of B-cepacia lipase toward 2-methyl-3-phenyl-1-propanol JO - Chem Biol VL - 12 UR - https://doi.org/10.1016/j.chembiol.2005.01.016 DO - 10.1016/j.chembiol.2005.01.016 ID - Mezzetti2005 ER - TY - JOUR AU - Brzozowski, A. M. AU - Savage, H. AU - Verma, C. S. AU - Turkenburg, J. P. AU - Lawson, D. M. AU - Svendsen, A. AU - Patkar, S. PY - 2000 DA - 2000// TI - Structural origins of the interfacial activation in Thermomyces (Humicola) lanuginosa lipase JO - Biochemistry VL - 39 UR - https://doi.org/10.1021/bi0013905 DO - 10.1021/bi0013905 ID - Brzozowski2000 ER - TY - JOUR AU - Norin, M. AU - Haeffner, F. AU - Hult, K. AU - Edholm, O. PY - 1994 DA - 1994// TI - Molecular dynamics simulations of an enzyme surrounded by vacuum, water, or a hydrophobic solvent JO - Biophys J VL - 67 UR - https://doi.org/10.1016/S0006-3495(94)80515-6 DO - 10.1016/S0006-3495(94)80515-6 ID - Norin1994 ER - TY - JOUR AU - Peters, G. H. AU - Bywater, R. P. PY - 1999 DA - 1999// TI - Computational analysis of chain flexibility and fluctuations in Rhizomucor miehei lipase JO - Protein Eng VL - 12 UR - https://doi.org/10.1093/protein/12.9.747 DO - 10.1093/protein/12.9.747 ID - Peters1999 ER - TY - JOUR AU - Lee, J. AU - Suh, S. W. AU - Shin, S. PY - 2000 DA - 2000// TI - Computational studies of essential dynamics of Pseudomonas cepacia lipase JO - J Biomol Struct Dyn VL - 18 UR - https://doi.org/10.1080/07391102.2000.10506667 DO - 10.1080/07391102.2000.10506667 ID - Lee2000 ER - TY - JOUR AU - Cherukuvada, S. L. AU - Seshasayee, A. S. N. AU - Raghunathan, K. AU - Anishetty, S. AU - Pennathur, G. PY - 2005 DA - 2005// TI - Evidence of a Double-Lid Movement in Pseudomonas aeruginosa Lipase: Insights from Molecular Dynamics Simulations JO - PLoS Comput Biol VL - 1 UR - https://doi.org/10.1371/journal.pcbi.0010028 DO - 10.1371/journal.pcbi.0010028 ID - Cherukuvada2005 ER - TY - JOUR AU - Jensen, M. O. AU - Jensen, T. R. AU - Kjaer, K. AU - Bjornholm, T. AU - Mouritsen, O. G. AU - Peters, G. H. PY - 2002 DA - 2002// TI - Orientation and conformation of a lipase at an interface studied by molecular dynamics simulations JO - Biophys J VL - 83 UR - https://doi.org/10.1016/S0006-3495(02)75152-7 DO - 10.1016/S0006-3495(02)75152-7 ID - Jensen2002 ER - TY - JOUR AU - Secundo, F. AU - Carrea, G. AU - Tarabiono, C. AU - Gatti-Lafranconi, P. AU - Brocca, S. AU - Lotti, M. AU - Jaeger, K. E. AU - Puls, M. AU - Eggert, T. PY - 2006 DA - 2006// TI - The lid is a structural and functional determinant of lipase activity and selectivity JO - J Mol Catal B:Enzym VL - 39 UR - https://doi.org/10.1016/j.molcatb.2006.01.018 DO - 10.1016/j.molcatb.2006.01.018 ID - Secundo2006 ER - TY - JOUR AU - Peters, G. H. AU - Toxvaerd, S. AU - Olsen, O. H. AU - Svendsen, A. PY - 1997 DA - 1997// TI - Computational studies of the activation of lipases and the effect of a hydrophobic environment JO - Protein Eng VL - 10 UR - https://doi.org/10.1093/protein/10.2.137 DO - 10.1093/protein/10.2.137 ID - Peters1997 ER - TY - JOUR AU - Jaaskelainen, S. AU - Verma, C. S. AU - Hubbard, R. E. AU - Linko, P. AU - Caves, L. S. D. PY - 1998 DA - 1998// TI - Conformational change in the activation of lipase: An analysis in terms of low-frequency normal modes JO - Protein Sci VL - 7 UR - https://doi.org/10.1002/pro.5560070612 DO - 10.1002/pro.5560070612 ID - Jaaskelainen1998 ER - TY - JOUR AU - Peters, G. H. AU - Olsen, O. H. AU - Svendsen, A. AU - Wade, R. C. PY - 1996 DA - 1996// TI - Theoretical investigation of the dynamics of the active site lid in Rhizomucor miehei lipase JO - Biophys J VL - 71 UR - https://doi.org/10.1016/S0006-3495(96)79207-X DO - 10.1016/S0006-3495(96)79207-X ID - Peters1996 ER - TY - JOUR AU - Lang, D. A. AU - Mannesse, M. L. M. AU - De Haas, G. H. AU - Verheij, H. M. AU - Dijkstra, B. W. PY - 1998 DA - 1998// TI - Structural basis of the chiral selectivity of Pseudomonas cepacia lipase JO - Eur J Biochem VL - 254 UR - https://doi.org/10.1046/j.1432-1327.1998.2540333.x DO - 10.1046/j.1432-1327.1998.2540333.x ID - Lang1998 ER - TY - JOUR AU - Kim, K. K. AU - Song, H. K. AU - Shin, D. H. AU - Hwang, K. Y. AU - Suh, S. W. PY - 1997 DA - 1997// TI - The crystal structure of a triacylglycerol lipase from Pseudomonas cepacia reveals a highly open conformation in the absence of a bound inhibitor JO - Structure VL - 5 UR - https://doi.org/10.1016/S0969-2126(97)00177-9 DO - 10.1016/S0969-2126(97)00177-9 ID - Kim1997 ER - TY - JOUR AU - Cygler, M. AU - Schrag, J. D. PY - 1997 DA - 1997// TI - Structure as basis for understanding interfacial properties of lipases JO - Lipases, Part A VL - 284 UR - https://doi.org/10.1016/S0076-6879(97)84003-7 DO - 10.1016/S0076-6879(97)84003-7 ID - Cygler1997 ER - TY - JOUR AU - Noble, M. E. AU - Cleasby, A. AU - Johnson, L. N. AU - Egmond, M. R. AU - Frenken, L. G. PY - 1994 DA - 1994// TI - Analysis of the structure of Pseudomonas glumae lipase JO - Protein Eng VL - 7 UR - https://doi.org/10.1093/protein/7.4.559 DO - 10.1093/protein/7.4.559 ID - Noble1994 ER - TY - JOUR AU - Mancheno, J. M. AU - Pernas, M. A. AU - Martinez, M. J. AU - Ochoa, B. AU - Rua, M. L. AU - Hermoso, J. A. PY - 2003 DA - 2003// TI - Structural insights into the lipase/esterase behavior in the Candida rugosa lipases family: Crystal structure of the lipase 2 isoenzyme at 1.97 angstrom resolution JO - J Mol Biol VL - 332 UR - https://doi.org/10.1016/j.jmb.2003.08.005 DO - 10.1016/j.jmb.2003.08.005 ID - Mancheno2003 ER - TY - JOUR AU - Angkawidjaja, C. AU - You, D. J. AU - Matsumura, H. AU - Kuwahara, K. AU - Koga, Y. AU - Takano, K. AU - Kanaya, S. PY - 2007 DA - 2007// TI - Crystal structure of a family I.3 lipase from Pseudomonas sp MIS38 in a closed conformation JO - FEBS Lett VL - 581 UR - https://doi.org/10.1016/j.febslet.2007.09.048 DO - 10.1016/j.febslet.2007.09.048 ID - Angkawidjaja2007 ER - TY - JOUR AU - Cajal, Y. AU - Svendsen, A. AU - Girona, V. AU - Patkar, S. A. AU - Alsina, M. A. PY - 2000 DA - 2000// TI - Interfacial control of lid opening in Thermomyces lanuginosa lipase JO - Biochemistry VL - 39 UR - https://doi.org/10.1021/bi991927i DO - 10.1021/bi991927i ID - Cajal2000 ER - TY - JOUR AU - Derewenda, U. AU - Swenson, L. AU - Wei, Y. Y. AU - Green, R. AU - Kobos, P. M. AU - Joerger, R. AU - Haas, M. J. AU - Derewenda, Z. S. PY - 1994 DA - 1994// TI - Conformational Lability of Lipases Observed in the Absence of an Oil-Water Interface – Crystallographic Studies of Enzymes from the Fungi Humicola-Lanuginosa and Rhizopus-Delemar JO - J Lipid Res VL - 35 ID - Derewenda1994 ER - TY - JOUR AU - Peters, G. H. AU - Bywater, R. P. PY - 2001 DA - 2001// TI - Influence of a lipid interface on protein dynamics in a fungal lipase JO - Biophys J VL - 81 UR - https://doi.org/10.1016/S0006-3495(01)75944-9 DO - 10.1016/S0006-3495(01)75944-9 ID - Peters2001 ER - TY - JOUR AU - Kossiakoff, A. A. AU - Randal, M. AU - Guenot, J. AU - Eigenbrot, C. PY - 1992 DA - 1992// TI - Variability of Conformations at Crystal Contacts in Bpti Represent True Low-Energy Structures – Correspondence among Lattice Packing and Molecular-Dynamics Structures JO - Proteins VL - 14 UR - https://doi.org/10.1002/prot.340140108 DO - 10.1002/prot.340140108 ID - Kossiakoff1992 ER - TY - JOUR AU - Koumanov, A. AU - Karshikoff, A. AU - Friis, E. P. AU - Borchert, T. V. PY - 2001 DA - 2001// TI - Conformational averaging in pK calculations: Improvement and limitations in prediction of ionization properties of proteins JO - J Phys Chem B VL - 105 UR - https://doi.org/10.1021/jp010949n DO - 10.1021/jp010949n ID - Koumanov2001 ER - TY - JOUR AU - Broos, J. AU - Visser, A. J. W. G. AU - Engbersen, J. F. J. AU - Verboom, W. AU - vanHoek, A. AU - Reinhoudt, D. N. PY - 1995 DA - 1995// TI - Flexibility of enzymes suspended in organic solvents probed by time-resolved fluorescence anisotropy. Evidence that enzyme activity and enantioselectivity are directly related to enzyme flexibility JO - J Am Chem Soc VL - 117 UR - https://doi.org/10.1021/ja00156a001 DO - 10.1021/ja00156a001 ID - Broos1995 ER - TY - JOUR AU - Zaks, A. AU - Klibanov, A. M. PY - 1985 DA - 1985// TI - Enzyme-catalyzed processes in organic solvents JO - Proc Natl Acad Sci USA VL - 82 UR - https://doi.org/10.1073/pnas.82.10.3192 DO - 10.1073/pnas.82.10.3192 ID - Zaks1985 ER - TY - JOUR AU - Colombo, G. AU - Ottolina, G. AU - Carrea, G. PY - 2000 DA - 2000// TI - Modelling of enzyme properties in organic solvents JO - Monatsh Chem VL - 131 UR - https://doi.org/10.1007/s007060070085 DO - 10.1007/s007060070085 ID - Colombo2000 ER - TY - JOUR AU - Soares, C. M. AU - Teixeira, V. H. AU - Baptista, A. M. PY - 2003 DA - 2003// TI - Protein structure and dynamics in nonaqueous solvents: insights from molecular dynamics simulation studies JO - Biophys J VL - 84 UR - https://doi.org/10.1016/S0006-3495(03)74972-8 DO - 10.1016/S0006-3495(03)74972-8 ID - Soares2003 ER - TY - JOUR AU - Micaelo, N. M. AU - Soares, C. M. PY - 2007 DA - 2007// TI - Modeling hydration mechanisms of enzymes in nonpolar and polar organic solvents JO - FEBS J VL - 274 UR - https://doi.org/10.1111/j.1742-4658.2007.05781.x DO - 10.1111/j.1742-4658.2007.05781.x ID - Micaelo2007 ER - TY - JOUR AU - Trodler, P. AU - Pleiss, J. PY - 2008 DA - 2008// TI - Modeling structure and flexibility of Candida antarctica lipase B in organic solvents JO - BMC Struct Biol VL - 8 UR - https://doi.org/10.1186/1472-6807-8-9 DO - 10.1186/1472-6807-8-9 ID - Trodler2008 ER - TY - JOUR AU - Derewenda, U. AU - Brzozowski, A. M. AU - Lawson, D. M. AU - Derewenda, Z. S. PY - 1992 DA - 1992// TI - Catalysis at the Interface – the Anatomy of a Conformational Change in a Triglyceride Lipase JO - Biochemistry VL - 31 UR - https://doi.org/10.1021/bi00120a034 DO - 10.1021/bi00120a034 ID - Derewenda1992 ER - TY - JOUR AU - Miled, N. AU - De Caro, A. AU - De Caro, J. AU - Verger, R. PY - 2000 DA - 2000// TI - A conformational transition between an open and closed form of human pancreatic lipase revealed by a monoclonal antibody JO - Bba-Protein Struct M VL - 1476 UR - https://doi.org/10.1016/S0167-4838(99)00288-5 DO - 10.1016/S0167-4838(99)00288-5 ID - Miled2000 ER - TY - JOUR AU - Peters, G. H. AU - vanAalten, D. M. F. AU - Edholm, O. AU - Toxvaerd, S. AU - Bywater, R. PY - 1996 DA - 1996// TI - Dynamics of proteins in different solvent systems: Analysis of essential motion in lipases JO - Biophys J VL - 71 UR - https://doi.org/10.1016/S0006-3495(96)79428-6 DO - 10.1016/S0006-3495(96)79428-6 ID - Peters1996 ER - TY - JOUR AU - James, J. J. AU - Lakshmi, B. S. AU - Seshasayee, A. S. AU - Gautam, P. PY - 2007 DA - 2007// TI - Activation of Candida rugosa lipase at alkane-aqueous interfaces: A molecular dynamics study JO - FEBS Lett VL - 581 UR - https://doi.org/10.1016/j.febslet.2007.08.002 DO - 10.1016/j.febslet.2007.08.002 ID - James2007 ER - TY - JOUR AU - Gunasekaran, K. AU - Ma, B. Y. AU - Nussinov, R. PY - 2003 DA - 2003// TI - Triggering loops and enzyme function: Identification of loops that trigger and modulate movements JO - J Mol Biol VL - 332 UR - https://doi.org/10.1016/S0022-2836(03)00893-3 DO - 10.1016/S0022-2836(03)00893-3 ID - Gunasekaran2003 ER - TY - JOUR AU - Grochulski, P. AU - Li, Y. G. AU - Schrag, J. D. AU - Bouthillier, F. AU - Smith, P. AU - Harrison, D. AU - Rubin, B. AU - Cygler, M. PY - 1993 DA - 1993// TI - Insights into Interfacial Activation from an Open Structure of Candida-Rugosa Lipase JO - J Biol Chem VL - 268 ID - Grochulski1993 ER - TY - JOUR AU - Turner, N. A. AU - Needs, E. C. AU - Khan, J. A. AU - Vulfson, E. N. PY - 2001 DA - 2001// TI - Analysis of conformational states of Candida rugosa lipase in solution: implications for mechanism of interfacial activation and separation of open and closed forms JO - Biotechnol Bioeng VL - 72 UR - https://doi.org/3.0.CO;2-7 DO - 3.0.CO;2-7 ID - Turner2001 ER - TY - JOUR AU - Arnold, K. AU - Bordoli, L. AU - Kopp, J. AU - Schwede, T. PY - 2006 DA - 2006// TI - The SWISS-MODEL workspace: a web-based environment for protein structure homology modelling JO - Bioinformatics VL - 22 UR - https://doi.org/10.1093/bioinformatics/bti770 DO - 10.1093/bioinformatics/bti770 ID - Arnold2006 ER - TY - JOUR AU - Martel, P. J. AU - Baptista, A. AU - Petersen, S. B. PY - 1996 DA - 1996// TI - Protein electrostatics JO - Biotechnol Annu Rev VL - 2 UR - https://doi.org/10.1016/S1387-2656(08)70016-4 DO - 10.1016/S1387-2656(08)70016-4 ID - Martel1996 ER - TY - JOUR AU - Havranek, J. J. AU - Harbury, P. B. PY - 1999 DA - 1999// TI - Tanford-Kirkwood electrostatics for protein modeling JO - Proc Natl Acad Sci USA VL - 96 UR - https://doi.org/10.1073/pnas.96.20.11145 DO - 10.1073/pnas.96.20.11145 ID - Havranek1999 ER - TY - JOUR AU - Petersen, M. T. AU - Martel, P. AU - Petersen, E. I. AU - Drablos, F. AU - Petersen, S. B. PY - 1997 DA - 1997// TI - Surface and electrostatics of cutinases JO - Methods Enzymol VL - 284 UR - https://doi.org/10.1016/S0076-6879(97)84009-8 DO - 10.1016/S0076-6879(97)84009-8 ID - Petersen1997 ER - TY - JOUR AU - Costantino, H. R. AU - Griebenow, K. AU - Langer, R. AU - Klibanov, A. M. PY - 1997 DA - 1997// TI - On the pH memory of lyophilized compounds containing protein functional groups JO - Biotechnol Bioeng VL - 53 UR - https://doi.org/3.0.CO;2-J DO - 3.0.CO;2-J ID - Costantino1997 ER - TY - JOUR AU - Honig, B. AU - Nicholls, A. PY - 1995 DA - 1995// TI - Classical electrostatics in biology and chemistry JO - Science VL - 268 UR - https://doi.org/10.1126/science.7761829 DO - 10.1126/science.7761829 ID - Honig1995 ER - TY - JOUR AU - Sitkoff, D. AU - Sharp, K. A. AU - Honig, B. PY - 1994 DA - 1994// TI - Accurate Calculation of Hydration Free-Energies Using Macroscopic Solvent Models JO - J Phys Chem VL - 98 UR - https://doi.org/10.1021/j100058a043 DO - 10.1021/j100058a043 ID - Sitkoff1994 ER - TY - JOUR AU - Jorgensen, W. L. AU - Chandrasekhar, J. AU - Madura, J. D. AU - Impey, R. W. AU - Klein, M. L. PY - 1983 DA - 1983// TI - Comparison of Simple Potential Functions for Simulating Liquid Water JO - J Chem Phys VL - 79 UR - https://doi.org/10.1063/1.445869 DO - 10.1063/1.445869 ID - Jorgensen1983 ER - TY - JOUR AU - Case, D. A. AU - Cheatham, T. E. AU - Darden, T. AU - Gohlke, H. AU - Luo, R. AU - Merz, K. M. AU - Onufriev, A. AU - Simmerling, C. AU - Wang, B. AU - Woods, R. J. PY - 2005 DA - 2005// TI - The Amber biomolecular simulation programs JO - J Comput Chem VL - 26 UR - https://doi.org/10.1002/jcc.20290 DO - 10.1002/jcc.20290 ID - Case2005 ER - TY - JOUR AU - Cornell, W. D. AU - Cieplak, P. AU - Bayly, C. I. AU - Gould, I. R. AU - Merz, K. M. AU - Ferguson, D. M. AU - Spellmeyer, D. C. AU - Fox, T. AU - Caldwell, J. W. AU - Kollman, P. A. PY - 1995 DA - 1995// TI - A 2nd Generation Force-Field for the Simulation of Proteins, Nucleic-Acids, and Organic-Molecules JO - J Am Chem Soc VL - 117 UR - https://doi.org/10.1021/ja00124a002 DO - 10.1021/ja00124a002 ID - Cornell1995 ER - TY - JOUR AU - Ryckaert, J. P. AU - Ciccotti, G. AU - Berendsen, H. J. C. PY - 1977 DA - 1977// TI - Numerical-Integration of Cartesian Equations of Motion of a System with Constraints – Molecular-Dynamics of N-Alkanes JO - J Comput Phys VL - 23 UR - https://doi.org/10.1016/0021-9991(77)90098-5 DO - 10.1016/0021-9991(77)90098-5 ID - Ryckaert1977 ER - TY - JOUR AU - Berendsen, H. J. C. AU - Postma, J. P. AU - van Gunsteren, W. F. AU - DiNola, A. AU - Haak, J. R. PY - 1984 DA - 1984// TI - Molecular dynamics with coupling to an external bath JO - J Chem Phys VL - 81 UR - https://doi.org/10.1063/1.448118 DO - 10.1063/1.448118 ID - Berendsen1984 ER - TY - JOUR AU - Vriend, G. PY - 1990 DA - 1990// TI - What If – a Molecular Modeling and Drug Design Program JO - J Mol Graphics VL - 8 UR - https://doi.org/10.1016/0263-7855(90)80070-V DO - 10.1016/0263-7855(90)80070-V ID - Vriend1990 ER - TY - JOUR AU - Kabsch, W. AU - Sander, C. PY - 1983 DA - 1983// TI - Dictionary of Protein Secondary Structure – Pattern-Recognition of Hydrogen-Bonded and Geometrical Features JO - Biopolymers VL - 22 UR - https://doi.org/10.1002/bip.360221211 DO - 10.1002/bip.360221211 ID - Kabsch1983 ER - TY - CHAP AU - DeLano, W. L. PY - 2002 DA - 2002// BT - The PyMOL Molecular Graphics System PB - DeLano Scientific CY - San Carlos, CA, USA ID - DeLano2002 ER - TY - JOUR AU - Humphrey, W. AU - Dalke, A. AU - Schulten, K. PY - 1996 DA - 1996// TI - VMD: Visual molecular dynamics JO - J Mol Graphics VL - 14 UR - https://doi.org/10.1016/0263-7855(96)00018-5 DO - 10.1016/0263-7855(96)00018-5 ID - Humphrey1996 ER - TY - JOUR AU - Eisenberg, D. AU - Schwarz, E. AU - Komarony, M. AU - Wall, R. PY - 1984 DA - 1984// TI - Amino acid scale: Normalized consensus hydrophobicity scale JO - J Mol Biol VL - 179 UR - https://doi.org/10.1016/0022-2836(84)90309-7 DO - 10.1016/0022-2836(84)90309-7 ID - Eisenberg1984 ER - TY - JOUR AU - Wiederstein, M. AU - Sippl, M. J. PY - 2007 DA - 2007// TI - ProSA-web: interactive web service for the recognition of errors in three-dimensional structures of proteins JO - Nucleic Acids Res VL - 35 UR - https://doi.org/10.1093/nar/gkm290 DO - 10.1093/nar/gkm290 ID - Wiederstein2007 ER -