-
1
-
-
33845996605
-
Can Ionic Liquids Dissolve Wood? Processing and Analysis of Lignocellulosic Materials with 1-N-Butyl-3-Methylimidazolium Chloride
-
Fort, D. A.; Remsing, R. C.; Swatloski, R. P.; Moyna, P.; Moyna, G.; Rogers, R. D. Can Ionic Liquids Dissolve Wood? Processing and Analysis of Lignocellulosic Materials with 1-N-Butyl-3-Methylimidazolium Chloride Green Chem. 2007, 9, 63
-
(2007)
Green Chem.
, vol.9
, pp. 63
-
-
Fort, D.A.1
Remsing, R.C.2
Swatloski, R.P.3
Moyna, P.4
Moyna, G.5
Rogers, R.D.6
-
2
-
-
0037042296
-
Dissolution of cellose with ionic liquids
-
DOI 10.1021/ja025790m
-
Swatloski, R. P.; Spear, S. K.; Holbrey, J. D.; Rogers, R. D. Dissolution of Cellose with Ionic Liquids J. Am. Chem. Soc. 2002, 124, 4974-4975 (Pubitemid 34495887)
-
(2002)
Journal of the American Chemical Society
, vol.124
, Issue.18
, pp. 4974-4975
-
-
Swatloski, R.P.1
Spear, S.K.2
Holbrey, J.D.3
Rogers, R.D.4
-
3
-
-
67749110115
-
Simple Chemical Transformation of Lignocellulosic Biomass into Furans for Fuels and Chemicals
-
Binder, J. B.; Raines, R. T. Simple Chemical Transformation of Lignocellulosic Biomass into Furans for Fuels and Chemicals J. Am. Chem. Soc. 2009, 131, 1979-1985
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 1979-1985
-
-
Binder, J.B.1
Raines, R.T.2
-
4
-
-
34447105646
-
Lipase-catalyzed biodiesel production from soybean oil in ionic liquids
-
DOI 10.1016/j.enzmictec.2007.03.017, PII S0141022907001299
-
Ha, S. H.; Lan, M. N.; Lee, S. H.; Hwang, S. M.; Koo, Y.-M. Lipase-Catalyzed Biodiesel Production from Soybean Oil in Ionic Liquids Enzyme Microb. Technol. 2007, 41, 480-483 (Pubitemid 47031341)
-
(2007)
Enzyme and Microbial Technology
, vol.41
, Issue.4
, pp. 480-483
-
-
Ha, S.H.1
Lan, M.N.2
Lee, S.H.3
Hwang, S.M.4
Koo, Y.-M.5
-
5
-
-
33645421765
-
Lipase-Catalyzed Glycerolysis of Fats and Oils in Ionic Liquids: A Further Study on the Reaction System
-
Guo, Z.; Xu, X. Lipase-Catalyzed Glycerolysis of Fats and Oils in Ionic Liquids: A Further Study on the Reaction System Green Chem. 2006, 8, 54
-
(2006)
Green Chem.
, vol.8
, pp. 54
-
-
Guo, Z.1
Xu, X.2
-
6
-
-
53349095691
-
Interpretation of Co2 Solubility and Selectivity in Nitrile- Functionalized Room-Temperature Ionic Liquids Using a Group Contribution Approach
-
Carlisle, T. K.; Bara, J. E.; Gabriel, C. J.; Noble, R. D.; Gin, D. L. Interpretation of Co2 Solubility and Selectivity in Nitrile-Functionalized Room-Temperature Ionic Liquids Using a Group Contribution Approach Ind. Eng. Chem. Res. 2008, 47, 7005-7012
-
(2008)
Ind. Eng. Chem. Res.
, vol.47
, pp. 7005-7012
-
-
Carlisle, T.K.1
Bara, J.E.2
Gabriel, C.J.3
Noble, R.D.4
Gin, D.L.5
-
7
-
-
0035814363
-
Stabilization of α-chymotrypsin by ionic liquids in transesterification reactions
-
DOI 10.1002/bit.10089
-
Lozano, P.; de Diego, T.; Guegan, J.-P.; Vaultier, M.; Iborra, J. L. Stabilization of A-Chymotrypsin by Ionic Liquids in Transesterification Reactions Biotechnol. Bioeng. 2001, 75, 563-569 (Pubitemid 33134990)
-
(2001)
Biotechnology and Bioengineering
, vol.75
, Issue.5
, pp. 563-569
-
-
Lozano, P.1
De Diego, T.2
Guegan, J.-P.3
Vaultier, M.4
Iborra, J.L.5
-
8
-
-
0037413437
-
Enzymatic ester synthesis in ionic liquids
-
DOI 10.1016/S1381-1177(02)00128-5, PII S1381117702001285
-
Lozano, P.; De Diego, T.; Carrié, D.; Vaultier, M.; Iborra, J. L. Enzymatic Ester Synthesis in Ionic Liquids J. Mol. Catal. B: Enzym. 2003, 21, 9-13 (Pubitemid 35477579)
-
(2003)
Journal of Molecular Catalysis B: Enzymatic
, vol.21
, Issue.1-2
, pp. 9-13
-
-
Lozano, P.1
De Diego, T.2
Carrie, D.3
Vaultier, M.4
Iborra, J.L.5
-
9
-
-
28244436735
-
Thermal stability enhancement of Candida rugosa lipase using ionic liquids
-
DOI 10.1080/10242420500192940
-
Ulbert, O.; Belafi-Bako, K.; Tonova, K.; Gubicza, L. Thermal Stability Enhancement of Candida Rugosa Lipase Using Ionic Liquids Biocatal. Biotransform. 2005, 23, 177-183 (Pubitemid 41699918)
-
(2005)
Biocatalysis and Biotransformation
, vol.23
, Issue.3-4
, pp. 177-183
-
-
Ulbert, O.1
Belafi-Bako, K.2
Tonova, K.3
Gubicza, L.4
-
10
-
-
0034810934
-
Over-stabilization of Candida antarctica lipase B by ionic liquids in ester synthesis
-
DOI 10.1023/A:1011697609756
-
Lozano, P.; De Diego, T.; Carrié, D.; Vaultier, M.; Iborra, J. L. Over-Stabilization of Candida Antarctica Lipase B by Ionic Liquids in Ester Synthesis Biotechnol. Lett. 2001, 23, 1529-1533 (Pubitemid 32904849)
-
(2001)
Biotechnology Letters
, vol.23
, Issue.18
, pp. 1529-1533
-
-
Lozano, P.1
De Diego, T.2
Carrie, D.3
Vaultier, M.4
Iborra, J.L.5
-
11
-
-
0035861716
-
Improved preparation and use of room-temperature ionic liquids in lipase-catalyzed enantio- and regioselective acylations
-
DOI 10.1021/jo015761e
-
Park, S.; Kazlauskas, R. J. Improved Preparation and Use of Room-Temperature Ionic Liquids in Lipase-Catalyzed Enantio- and Regioselective Acylations J. Org. Chem. 2001, 66, 8395-8401 (Pubitemid 34002932)
-
(2001)
Journal of Organic Chemistry
, vol.66
, Issue.25
, pp. 8395-8401
-
-
Park, S.1
Kazlauskas, R.J.2
-
12
-
-
4644302249
-
Enhanced enantioselectivity of Candida rugosa lipase in ionic liquids as compared to organic solvents
-
DOI 10.1016/j.molcatb.2004.07.003, PII S1381117704002012
-
Ulbert, O.; Fráter, T.; Bélafi-Bakó, K.; Gubicza, L. Enhanced Enantioselectivity of Candida Rugosa Lipase in Ionic Liquids as Compared to Organic Solvents J. Mol. Catal. B: Enzym. 2004, 31, 39-45 (Pubitemid 39297068)
-
(2004)
Journal of Molecular Catalysis B: Enzymatic
, vol.31
, Issue.1-3
, pp. 39-45
-
-
Ulbert, O.1
Frater, T.2
Belafi-Bako, K.3
Gubicza, L.4
-
13
-
-
77951226274
-
At the Dawn of the 21st Century: Is Dynamics the Missing Link for Understanding Enzyme Catalysis?
-
Kamerlin, S. C. L.; Warshel, A. At the Dawn of the 21st Century: Is Dynamics the Missing Link for Understanding Enzyme Catalysis? Proteins: Struct., Funct., Bioinf. 2010, 78, 1339-1375
-
(2010)
Proteins: Struct., Funct., Bioinf.
, vol.78
, pp. 1339-1375
-
-
Kamerlin, S.C.L.1
Warshel, A.2
-
14
-
-
0242669331
-
Impact of ionic liquid physical properties on lipase activity and stability
-
DOI 10.1021/ja028557x
-
Kaar, J. L.; Jesionowski, A. M.; Berberich, J. A.; Moulton, R.; Russell, A. J. Impact of Ionic Liquid Physical Properties on Lipase Activity and Stability J. Am. Chem. Soc. 2003, 125, 4125-4131 (Pubitemid 36512307)
-
(2003)
Journal of the American Chemical Society
, vol.125
, Issue.14
, pp. 4125-4131
-
-
Kaar, J.L.1
Jesionowski, A.M.2
Berberich, J.A.3
Moulton, R.4
Russell, A.J.5
-
15
-
-
33644892197
-
Nanostructural Organization in Ionic Liquids
-
Canongia Lopes, J. N. A.; Pádua, A. A. H. Nanostructural Organization in Ionic Liquids J. Phys. Chem. B 2006, 110, 3330-3335
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 3330-3335
-
-
Canongia Lopes, J.N.A.1
Pádua, A.A.H.2
-
16
-
-
0037143801
-
Protein-protein interactions in concentrated electrolyte solutions: Hofmeister-series effects
-
DOI 10.1002/bit.10342
-
Curtis, R. A.; Ulrich, J.; Montaser, A.; Prausnitz, J. M.; Blanch, H. W. Protein-Protein Interactions in Concentrated Electrolyte Solutions Biotechnol. Bioeng. 2002, 79, 367-380 (Pubitemid 34847314)
-
(2002)
Biotechnology and Bioengineering
, vol.79
, Issue.4
, pp. 367-380
-
-
Curtis, R.A.1
Ulrich, J.2
Montaser, A.3
Prausnitz, J.M.4
Blanch, H.W.5
-
17
-
-
12344271184
-
On the salt-induced stabilization of pair and many-body hydrophobic interactions
-
DOI 10.1021/jp0475638
-
Ghosh, T.; Kalra, A.; Garde, S. On the Salt-Induced Stabilization of Pair and Many-Body Hydrophobic Interactions J. Phys. Chem. B 2005, 109, 642-651 (Pubitemid 40121011)
-
(2005)
Journal of Physical Chemistry B
, vol.109
, Issue.1
, pp. 642-651
-
-
Ghosh, T.1
Kalra, A.2
Garde, S.3
-
18
-
-
33746915678
-
Parametrization of 1-butyl-3-methylimidazolium hexafluorophosphate/ nitrate ionic liquid for the GROMOS force field
-
DOI 10.1021/jp061869s
-
Micaeîlo, N. M.; Baptista, A. M.; Soares, C. M. Parametrization of 1-Butyl-3-Methylimidazolium Hexafluorophosphate/Nitrate Ionic Liquid for the Gromos Force Field J. Phys. Chem. B 2006, 110, 14444-14451 (Pubitemid 44188010)
-
(2006)
Journal of Physical Chemistry B
, vol.110
, Issue.29
, pp. 14444-14451
-
-
Micaelo, N.M.1
Baptists, A.M.2
Soares, C.M.3
-
19
-
-
0037069824
-
Molecular Dynamics Study of the Ionic Liquid 1-N-Butyl-3- Methylimidazolium Hexafluorophosphate
-
Morrow, T. I.; Maginn, E. J. Molecular Dynamics Study of the Ionic Liquid 1-N-Butyl-3-Methylimidazolium Hexafluorophosphate J. Phys. Chem. B 2002, 106, 12807-12813
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 12807-12813
-
-
Morrow, T.I.1
Maginn, E.J.2
-
20
-
-
22444436682
-
Solubility of Co2, Co, and H2 in the Ionic Liquid [Bmim][Pf6] from Monte Carlo Simulations
-
Urukova, I.; Vorholz, J.; Maurer, G. Solubility of Co2, Co, and H2 in the Ionic Liquid [Bmim][Pf6] from Monte Carlo Simulations J. Phys. Chem. B 2005, 109, 12154-12159
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 12154-12159
-
-
Urukova, I.1
Vorholz, J.2
Maurer, G.3
-
21
-
-
70349592987
-
Molecular Simulation of Ionic Liquids: Current Status and Future Opportunities
-
Maginn, E. J. Molecular Simulation of Ionic Liquids: Current Status and Future Opportunities J. Phys.: Condens. Matter 2009, 21, 373101
-
(2009)
J. Phys.: Condens. Matter
, vol.21
, pp. 373101
-
-
Maginn, E.J.1
-
22
-
-
78651330977
-
On the Different Roles of Anions and Cations in the Solvation of Enzymes in Ionic Liquids
-
Klähn, M.; Lim, G. S.; Seduraman, A.; Wu, P. On the Different Roles of Anions and Cations in the Solvation of Enzymes in Ionic Liquids Phys. Chem. Chem. Phys. 2011, 13, 1649
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 1649
-
-
Klähn, M.1
Lim, G.S.2
Seduraman, A.3
Wu, P.4
-
23
-
-
41549135319
-
Protein structure and dynamics in ionic liquids. Insights from molecular dynamics simulation studies
-
DOI 10.1021/jp0766050
-
Micaeîlo, N. M.; Soares, C. M. Protein Structure and Dynamics in Ionic Liquids. Insights from Molecular Dynamics Simulation Studies J. Phys. Chem. B 2008, 112, 2566-2572 (Pubitemid 351472962)
-
(2008)
Journal of Physical Chemistry B
, vol.112
, Issue.9
, pp. 2566-2572
-
-
Micaelo, N.M.1
Soares, C.M.2
-
24
-
-
0028103723
-
Two conformational states of Candida rugosa lipase
-
Grochulski, P.; Li, Y.; Schrag, J. D.; Cygler, M. Two Conformational States of Candida Rugosa Lipase Protein Sci. 1994, 3, 82-91 (Pubitemid 24048775)
-
(1994)
Protein Science
, vol.3
, Issue.1
, pp. 82-91
-
-
Grochulski, P.1
Li, Y.2
Schrag, J.D.3
Cygler, M.4
-
25
-
-
77954254359
-
Preparations for the Use of Candida Rugosa Lipase in Non-Conventional Solvents
-
Dave, R.; Madamwar, D. Preparations for the Use of Candida Rugosa Lipase in Non-Conventional Solvents Biocatal. Biotransform. 2010, 28, 157-166
-
(2010)
Biocatal. Biotransform.
, vol.28
, pp. 157-166
-
-
Dave, R.1
Madamwar, D.2
-
26
-
-
31744449240
-
Understanding Candida rugosa lipases: An overview
-
DOI 10.1016/j.biotechadv.2005.09.003, PII S0734975005001229
-
Domínguez De María, P.; Sánchez-Montero, J. M.; Sinisterra, J. V.; Alcántara, A. R. Understanding Candida Rugosa Lipases: An Overview Biotechnol. Adv. 2006, 24, 180-196 (Pubitemid 43173508)
-
(2006)
Biotechnology Advances
, vol.24
, Issue.2
, pp. 180-196
-
-
Dominguez De Maria, P.1
Sanchez-Montero, J.M.2
Sinisterra, J.V.3
Alcantara, A.R.4
-
27
-
-
8144221211
-
Dissolution of Candida Antarctica Lipase B in Ionic Liquids: Effects on Structure and Activity
-
Madeira Lau, R.; Sorgedrager, M. J.; Carrea, G.; van Rantwijk, F.; Secundo, F.; Sheldon, R. A. Dissolution of Candida Antarctica Lipase B in Ionic Liquids: Effects on Structure and Activity Green Chem. 2004, 6, 483
-
(2004)
Green Chem.
, vol.6
, pp. 483
-
-
Madeira Lau, R.1
Sorgedrager, M.J.2
Carrea, G.3
Van Rantwijk, F.4
Secundo, F.5
Sheldon, R.A.6
-
28
-
-
0041880027
-
Ionic Liquid Salt-Induced Inactivation and Unfolding of Cellulase from Trichoderma Reesei
-
Turner, M. B.; Spear, S. K.; Huddleston, J. G.; Holbrey, J. D.; Rogers, R. D. Ionic Liquid Salt-Induced Inactivation and Unfolding of Cellulase from Trichoderma Reesei Green Chem. 2003, 5, 443
-
(2003)
Green Chem.
, vol.5
, pp. 443
-
-
Turner, M.B.1
Spear, S.K.2
Huddleston, J.G.3
Holbrey, J.D.4
Rogers, R.D.5
-
29
-
-
79956014412
-
Conformational Flexibility of Lipase Lip1 from Candida Rugosa Studied by Electronic Spectroscopies and Thermodynamic Approaches
-
Fuciños González, J. P.; Bassani, G.; Farruggia, B.; Picó, G. A.; Pastrana Castro, L.; Rua, M. L. Conformational Flexibility of Lipase Lip1 from Candida Rugosa Studied by Electronic Spectroscopies and Thermodynamic Approaches Protein J. 2011, 30, 77-83
-
(2011)
Protein J.
, vol.30
, pp. 77-83
-
-
Fuciños González, J.P.1
Bassani, G.2
Farruggia, B.3
Picó, G.A.4
Pastrana Castro, L.5
Rua, M.L.6
-
30
-
-
0345059376
-
Announcing the worldwide Protein Data Bank
-
DOI 10.1038/nsb1203-980
-
Berman, H.; Henrick, K.; Nakamura, H. Announcing the Worldwide Protein Data Bank Nat. Struct. Biol. 2003, 10, 980 (Pubitemid 37500485)
-
(2003)
Nature Structural Biology
, vol.10
, Issue.12
, pp. 980
-
-
Berman, H.1
Henrick, K.2
Nakamura, H.3
-
31
-
-
0027160452
-
Insights into interfacial activation from an open structure of Candida rugosa lipase
-
Grochulski, P.; Li, Y.; Schrag, J. D.; Bouthillier, F.; Smith, P.; Harrison, D.; Rubin, B.; Cygler, M. Insights into Interfacial Activation from an Open Structure of Candida Rugosa Lipase J. Biol. Chem. 1993, 268, 12843-7 (Pubitemid 23182455)
-
(1993)
Journal of Biological Chemistry
, vol.268
, Issue.17
, pp. 12843-12847
-
-
Grochulski, P.1
Li, Y.2
Schrag, J.D.3
Bouthillier, F.4
Smith, P.5
Harrison, D.6
Rubin, B.7
Cygler, M.8
-
32
-
-
39049147617
-
GLYCAM06: A generalizable biomolecular force field. carbohydrates
-
DOI 10.1002/jcc.20820
-
Kirschner, K. N.; Yongye, A. B.; Tschampel, S. M.; Gonzalez-Outeirino, J.; Daniels, C. R.; Foley, B. L.; Woods, R. J. Glycam06: A Generalizable Biomolecular Force Field. Carbohydrates J. Comput. Chem. 2008, 29, 622-55 (Pubitemid 351238844)
-
(2008)
Journal of Computational Chemistry
, vol.29
, Issue.4
, pp. 622-655
-
-
Kirschner, K.N.1
Yongye, A.B.2
Tschampel, S.M.3
Gonzalez-Outeirino, J.4
Daniels, C.R.5
Foley, B.L.6
Woods, R.J.7
-
34
-
-
0032438520
-
Simple determination of the water content in lyophilized isoenzymes of Candida rugosa lipase
-
DOI 10.1023/A:1008896030387
-
de la Casa, R. M.; Sánchez-Montero, J. M.; Rojas, R.; Sinisterra, J. V. Simple Determination of the Water Content in Lyophilized Isoenzymes of Candida Rugosa Lipase Biotechnol. Tech. 1998, 12, 823-827 (Pubitemid 29000245)
-
(1998)
Biotechnology Techniques
, vol.12
, Issue.11
, pp. 823-827
-
-
De La Casa, R.M.1
Sanchez-Montero, J.M.2
Rojas, R.3
Sinisterra, J.V.4
-
35
-
-
0004016501
-
Comparison of Simple Potential Functions for Simulation Liquid Water
-
Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. Comparison of Simple Potential Functions for Simulation Liquid Water J. Chem. Phys. 1983, 79, 926-935
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
36
-
-
23444454552
-
The Amber biomolecular simulation programs
-
DOI 10.1002/jcc.20290
-
Case, D. A.; Cheatham, T. E.; Darden, T.; Gohlke, H.; Luo, R.; Merz, K. M.; Onufriev, A.; Simmerling, C.; Wang, B.; Woods, R. J. The Amber Biomolecular Simulation Programs J. Comput. Chem. 2005, 26, 1668-1688 (Pubitemid 43076180)
-
(2005)
Journal of Computational Chemistry
, vol.26
, Issue.16
, pp. 1668-1688
-
-
Case, D.A.1
Cheatham III, T.E.2
Darden, T.3
Gohlke, H.4
Luo, R.5
Merz Jr., K.M.6
Onufriev, A.7
Simmerling, C.8
Wang, B.9
Woods, R.J.10
-
37
-
-
33748538349
-
Automatic atom type and bond type perception in molecular mechanical calculations
-
DOI 10.1016/j.jmgm.2005.12.005, PII S1093326305001737
-
Wang, J.; Wang, W.; Kollman, P. A.; Case, D. A. Automatic Atom Type and Bond Type Perception in Molecular Mechanical Calculations J. Mol. Graphics Modell. 2006, 25, 247-60 (Pubitemid 44363172)
-
(2006)
Journal of Molecular Graphics and Modelling
, vol.25
, Issue.2
, pp. 247-260
-
-
Wang, J.1
Wang, W.2
Kollman, P.A.3
Case, D.A.4
-
38
-
-
2942532422
-
Development and Testing of a General Amber Force Field
-
Wang, J.; Wolf, R. M.; Caldwell, J. W.; Kollman, P. A.; Case, D. A. Development and Testing of a General Amber Force Field J. Comput. Chem. 2004, 25, 1157-74
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1157-1174
-
-
Wang, J.1
Wolf, R.M.2
Caldwell, J.W.3
Kollman, P.A.4
Case, D.A.5
-
39
-
-
3042524904
-
A Well-Behaved Electrostatic Potential Based Method Using Charge Restraints for Deriving Atomic Charges - The Resp Model
-
Bayly, C. I.; Cieplak, P.; Cornell, W. D.; Kollman, P. A. A Well-Behaved Electrostatic Potential Based Method Using Charge Restraints for Deriving Atomic Charges-the Resp Model J. Phys. Chem. 1993, 97, 10269-10280
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 10269-10280
-
-
Bayly, C.I.1
Cieplak, P.2
Cornell, W.D.3
Kollman, P.A.4
-
40
-
-
70450206724
-
-
Revision B.01; Gaussian, Inc. Wallingford, CT.
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Gaussian 09, Revision B.01; Gaussian, Inc.: Wallingford, CT, 2009.
-
(2009)
Gaussian 09
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
-
41
-
-
69949118458
-
Packmol: A Package for Building Initial Configurations for Molecular Dynamics Simulations
-
Martínez, L.; Andrade, R.; Birgin, E. G.; Martínez, J. M. Packmol: A Package for Building Initial Configurations for Molecular Dynamics Simulations J. Comput. Chem. 2009, 30, 2157-2164
-
(2009)
J. Comput. Chem.
, vol.30
, pp. 2157-2164
-
-
Martínez, L.1
Andrade, R.2
Birgin, E.G.3
Martínez, J.M.4
-
42
-
-
27344436659
-
Scalable molecular dynamics with NAMD
-
DOI 10.1002/jcc.20289
-
Phillips, J. C.; Braun, R.; Wang, W.; Gumbart, J.; Tajkhorshid, E.; Villa, E.; Chipot, C.; Skeel, R. D.; Kale, L.; Schulten, K. Scalable Molecular Dynamics with Namd J. Comput. Chem. 2005, 26, 1781-1802 (Pubitemid 43078511)
-
(2005)
Journal of Computational Chemistry
, vol.26
, Issue.16
, pp. 1781-1802
-
-
Phillips, J.C.1
Braun, R.2
Wang, W.3
Gumbart, J.4
Tajkhorshid, E.5
Villa, E.6
Chipot, C.7
Skeel, R.D.8
Kale, L.9
Schulten, K.10
-
43
-
-
33748518255
-
Comparison of multiple amber force fields and development of improved protein backbone parameters
-
DOI 10.1002/prot.21123
-
Hornak, V.; Abel, R.; Okur, A.; Strockbine, B.; Roitberg, A.; Simmerling, C. Comparison of Multiple Amber Force Fields and Development of Improved Protein Backbone Parameters Proteins: Struct., Funct., Bioinf. 2006, 65, 712-725 (Pubitemid 44583220)
-
(2006)
Proteins: Structure, Function and Genetics
, vol.65
, Issue.3
, pp. 712-725
-
-
Hornak, V.1
Abel, R.2
Okur, A.3
Strockbine, B.4
Roitberg, A.5
Simmerling, C.6
-
44
-
-
4243114736
-
Molecular-Dynamics Study of a 3-Dimensional One-Component Model for Distortive Phase-Transitions
-
Schneider, T.; Stoll, E. Molecular-Dynamics Study of a 3-Dimensional One-Component Model for Distortive Phase-Transitions Phys. Rev. B 1978, 17, 1302-1322
-
(1978)
Phys. Rev. B
, vol.17
, pp. 1302-1322
-
-
Schneider, T.1
Stoll, E.2
-
45
-
-
36449007836
-
Constant-Pressure Molecular-Dynamics Simulation - The Langevin Piston Method
-
Feller, S. E.; Zhang, Y. H.; Pastor, R. W.; Brooks, B. R. Constant-Pressure Molecular-Dynamics Simulation-the Langevin Piston Method J. Chem. Phys. 1995, 103, 4613-4621
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 4613-4621
-
-
Feller, S.E.1
Zhang, Y.H.2
Pastor, R.W.3
Brooks, B.R.4
-
46
-
-
48749148224
-
Rattle - A Velocity Version of the Shake Algorithm for Molecular-Dynamics Caluclations
-
Andersen, H. C. Rattle-a Velocity Version of the Shake Algorithm for Molecular-Dynamics Caluclations J. Comput. Phys. 1983, 52, 24-34
-
(1983)
J. Comput. Phys.
, vol.52
, pp. 24-34
-
-
Andersen, H.C.1
-
47
-
-
0035871686
-
A fast SHAKE algorithm to solve distance constraint equations for small molecules in molecular dynamics simulations
-
DOI 10.1002/1096-987X(20010415)22:5<501::AID-JCC1021>3.0.CO;2-V
-
Krautler, V.; van Gunsteren, W. F.; Hunenberger, P. H. A Fast Shake Algorithm to Solve Distance Constraint Equations for Small Molecules in Molecular Dynamics Simulations J. Comput. Chem. 2001, 22, 501-508 (Pubitemid 32291686)
-
(2001)
Journal of Computational Chemistry
, vol.22
, Issue.5
, pp. 501-508
-
-
Krautler, V.1
Van Gunsteren, W.F.2
Hunenberger, P.H.3
-
48
-
-
0029878720
-
VMD: Visual molecular dynamics
-
DOI 10.1016/0263-7855(96)00018-5
-
Humphrey, W.; Dalke, A.; Schulten, K. Vmd: Visual Molecular Dynamics J. Mol. Graphics 1996, 14, 33-38 (Pubitemid 26152973)
-
(1996)
Journal of Molecular Graphics
, vol.14
, Issue.1
, pp. 33-38
-
-
Humphrey, W.1
Dalke, A.2
Schulten, K.3
-
49
-
-
79958185452
-
Mdanalysis: A Toolkit for the Analysis of Molecular Dynamics Simulations
-
Michaud-Agrawal, N.; Denning, E. J.; Woolf, T. B.; Beckstein, O. Mdanalysis: A Toolkit for the Analysis of Molecular Dynamics Simulations J. Comput. Chem. 2011, 32, 2319-2327
-
(2011)
J. Comput. Chem.
, vol.32
, pp. 2319-2327
-
-
Michaud-Agrawal, N.1
Denning, E.J.2
Woolf, T.B.3
Beckstein, O.4
-
50
-
-
0027166270
-
Empirical scale of side-chain conformational entropy in protein folding
-
DOI 10.1006/jmbi.1993.1329
-
Pickett, S. D.; Sternberg, M. J. E. Empirical Scale of Side-Chain Conformational Entropy in Protein-Folding J. Mol. Biol. 1993, 231, 825-839 (Pubitemid 23211317)
-
(1993)
Journal of Molecular Biology
, vol.231
, Issue.3
, pp. 825-839
-
-
Pickett, S.D.1
Sternberg, M.J.E.2
-
51
-
-
0037126686
-
Proline cis-trans isomerization and protein folding
-
DOI 10.1021/bi020574b
-
Wedemeyer, W. J.; Welker, E.; Scheraga, H. A. Proline Cis-Trans Isomerization and Protein Folding Biochemistry 2002, 41, 14637-14644 (Pubitemid 35470644)
-
(2002)
Biochemistry
, vol.41
, Issue.50
, pp. 14637-14644
-
-
Wedemeyer, W.J.1
Welker, E.2
Scheraga, H.A.3
-
52
-
-
34548429987
-
Activation of Candida rugosa lipase at alkane-aqueous interfaces: A molecular dynamics study
-
DOI 10.1016/j.febslet.2007.08.002, PII S0014579307008678
-
James, J. J.; Lakshmi, B. S.; Seshasayee, A. S. N.; Gautam, P. Activation of Candida Rugosa Lipase at Alkane-Aqueous Interfaces: A Molecular Dynamics Study FEBS Lett. 2007, 581, 4377-4383 (Pubitemid 47368194)
-
(2007)
FEBS Letters
, vol.581
, Issue.23
, pp. 4377-4383
-
-
James, J.J.1
Lakshmi, B.S.2
Seshasayee, A.S.N.3
Gautam, P.4
-
53
-
-
78349281122
-
Solvent-Induced Lid Opening in Lipases: A Molecular Dynamics Study
-
Rehm, S.; Trodler, P.; Pleiss, J. Solvent-Induced Lid Opening in Lipases: A Molecular Dynamics Study Protein Sci. 2010, 19, 2122-2130
-
(2010)
Protein Sci.
, vol.19
, pp. 2122-2130
-
-
Rehm, S.1
Trodler, P.2
Pleiss, J.3
|