-
1
-
-
1342302795
-
The interaction of proteins with solid surfaces
-
DOI 10.1016/j.sbi.2003.12.001
-
Gray, J. J. The Interaction of Proteins with Solid Surfaces Curr. Opin. Struct. Biol. 2004, 14, 110-115 (Pubitemid 38249599)
-
(2004)
Current Opinion in Structural Biology
, vol.14
, Issue.1
, pp. 110-115
-
-
Gray, J.J.1
-
2
-
-
0141780801
-
Molecular Biomimetics: Nanotechnology Through Biology
-
Sarikaya, M.; Tamerler, C.; Jen, A. K.-Y.; Schulten, K.; Baneyx, F. Molecular Biomimetics: Nanotechnology Through Biology Nat. Mater. 2003, 2, 577-585
-
(2003)
Nat. Mater.
, vol.2
, pp. 577-585
-
-
Sarikaya, M.1
Tamerler, C.2
Jen, A.K.-Y.3
Schulten, K.4
Baneyx, F.5
-
3
-
-
33747192713
-
Control and Design Principles in Biological Mineralization
-
Addadi, L.; Weiner, S. Control and Design Principles in Biological Mineralization Angew. Chem., Int. Ed. Engl. 1992, 31, 153-169
-
(1992)
Angew. Chem., Int. Ed. Engl.
, vol.31
, pp. 153-169
-
-
Addadi, L.1
Weiner, S.2
-
4
-
-
0029669273
-
Control of Crystal Phase Switching and Orientation by Soluble Mollusc-Shell Proteins
-
Belcher, A. M.; Wu, X. H.; Christensen, R. J.; Hansma, P. K.; Stucky, G. D.; Morse, D. E. Control of Crystal Phase Switching and Orientation by Soluble Mollusc-Shell Proteins Nature 1996, 381, 56-58
-
(1996)
Nature
, vol.381
, pp. 56-58
-
-
Belcher, A.M.1
Wu, X.H.2
Christensen, R.J.3
Hansma, P.K.4
Stucky, G.D.5
Morse, D.E.6
-
5
-
-
2842584744
-
Critical transitions in the biofabrication of abalone shells and flat pearls
-
Zaremba, C. M.; Belcher, A. M.; Fritz, M.; Li, Y.; Mann, S.; Hansma, P. K.; Morse, D. E.; Speck, J. S.; Stucky, G. D. Critical Transition in the Biofabrication of Abalone Shells and Flat Pearls Chem. Mater. 1996, 8, 679-690 (Pubitemid 126482375)
-
(1996)
Chemistry of Materials
, vol.8
, Issue.3
, pp. 679-690
-
-
Zaremba, C.M.1
Belcher, A.M.2
Fritz, M.3
Li, Y.4
Mann, S.5
Hansma, P.K.6
Morse, D.E.7
Speck, J.S.8
Stucky, G.D.9
-
6
-
-
0038155646
-
Protein Components and Inorganic Structure in Shell Nacre in Haliotis Rufescens: Implications for Growth and Mechanical Behavior
-
Belcher, A. M.; Gooch, E. E. Protein Components and Inorganic Structure in Shell Nacre in Haliotis Rufescens: Implications for Growth and Mechanical Behavior Biomineralization 2002, 221-249
-
(2002)
Biomineralization
, pp. 221-249
-
-
Belcher, A.M.1
Gooch, E.E.2
-
7
-
-
0032223595
-
Protein-to-protein interactions: Criteria defining the assembly of the enamel organic matrix
-
Paine, M. L.; Krebsbach, P. H.; Chen, L. S.; Paine, C. T.; Yamada, Y.; Deutsch, D.; Snead, M. L. Protein-to-Protein Interactions: Criteria Defining the Assembly of the Enamel Organic Matrix J. Dent. Res. 1998, 77, 496-502 (Pubitemid 32770547)
-
(1998)
Journal of Dental Research
, vol.77
, Issue.3
, pp. 496-502
-
-
Paine, M.L.1
Krebsbach, P.H.2
Chen, L.S.3
Paine, C.T.4
Yamada, Y.5
Deutsch, D.6
Snead, M.L.7
-
8
-
-
0032982510
-
Structure, function and evolution of antifreeze proteins
-
DOI 10.1007/s000180050289
-
Ewart, K. V.; Lin, Q.; Hew, C. L. Structure, Function and Evolution of Antifreeze Proteins Cell. Mol. Life Sci. 1999, 55, 271-283 (Pubitemid 29118893)
-
(1999)
Cellular and Molecular Life Sciences
, vol.55
, Issue.2
, pp. 271-283
-
-
Ewart, K.V.1
Lin, Q.2
Hew, C.L.3
-
9
-
-
0034691568
-
Mimicry of ice structure by surface hydroxyls and water of a β-helix antifreeze protein
-
DOI 10.1038/35018604
-
Liou, Y. C.; Tocilj, A.; Davies, P. L.; Jia, Z. Mimicry of Ice Structure by Surface Hydroxyls and Water of a Beta-Helix Antifreeze Protein Nature 2000, 406, 322-324 (Pubitemid 30604412)
-
(2000)
Nature
, vol.406
, Issue.6793
, pp. 322-324
-
-
Liou, Y.-C.1
Tocilj, A.2
Davies, P.L.3
Jia, Z.4
-
10
-
-
0027641056
-
Effect of the conformation and orientation of adsorbed fibronectin on endothelial cell spreading and the strength of adhesion
-
Juliano, D. J.; Saavedra, S. S.; Truskey, G. A. Effect of the Conformation and Orientation of Adsorbed Fibronectin on Endothelial-Cell Spreading and the Strength of Adhesion J. Biomed. Mater. Res. 1993, 27, 1103-1113 (Pubitemid 23206726)
-
(1993)
Journal of Biomedical Materials Research
, vol.27
, Issue.8
, pp. 1103-1113
-
-
Iuliano, D.J.1
Saavedra, S.S.2
Truskey, G.A.3
-
11
-
-
77955818652
-
Applications of Peptide and Protein-Based Materials in Bionanotechnology
-
De la Rica, R.; Matsui, H. Applications of Peptide and Protein-Based Materials in Bionanotechnology Chem. Soc. Rev. 2010, 39, 3499-3509
-
(2010)
Chem. Soc. Rev.
, vol.39
, pp. 3499-3509
-
-
De La Rica, R.1
Matsui, H.2
-
13
-
-
31944451232
-
Toxic potential of materials at the nanolevel
-
DOI 10.1126/science.1114397
-
Nel, A.; Xia, T.; Mädler, L.; Li, N. Toxic Potential of Materials at the Nanolevel Science 2006, 311, 622-627 (Pubitemid 43191298)
-
(2006)
Science
, vol.311
, Issue.5761
, pp. 622-627
-
-
Nel, A.1
Xia, T.2
Madler, L.3
Li, N.4
-
14
-
-
38949105860
-
Functionalized Carbon Nanotubes in Drug Design and Discovery
-
Prato, M.; Kostarelos, K.; Bianco, A. Functionalized Carbon Nanotubes in Drug Design and Discovery Acc. Chem. Res. 2008, 41, 60-68
-
(2008)
Acc. Chem. Res.
, vol.41
, pp. 60-68
-
-
Prato, M.1
Kostarelos, K.2
Bianco, A.3
-
15
-
-
26944462345
-
The role of nanobiotechnology in drug discovery
-
DOI 10.1016/S1359-6446(05)03573-7, PII S1359644605035737
-
Jain, K. K. The Role of Nanobiotechnology in Drug Discovery Drug Discovery Today 2005, 10, 1435-1442 (Pubitemid 41483872)
-
(2005)
Drug Discovery Today
, vol.10
, Issue.21
, pp. 1435-1442
-
-
Jain, K.K.1
-
16
-
-
77950662629
-
Protein-Surface Interactions: Challenging Experiments and Computations
-
Cohavi, O.; Corni, S.; De Rienzo, F.; Di Felice, R.; Gottschalk, K. E.; Hoefling, M.; Kokh, D.; Molinari, E.; Schreiber, G.; Vaskevich, A.; Wade, R. C. Protein-Surface Interactions: Challenging Experiments and Computations J. Mol. Recognit. 2010, 23, 259-262
-
(2010)
J. Mol. Recognit.
, vol.23
, pp. 259-262
-
-
Cohavi, O.1
Corni, S.2
De Rienzo, F.3
Di Felice, R.4
Gottschalk, K.E.5
Hoefling, M.6
Kokh, D.7
Molinari, E.8
Schreiber, G.9
Vaskevich, A.10
Wade, R.C.11
-
17
-
-
0026669435
-
Engineered Iron Oxide-Adhesion Mutants of the Escherichia-Coli Phage-Lambda Receptor
-
Brown, S. Engineered Iron Oxide-Adhesion Mutants of the Escherichia-Coli Phage-Lambda Receptor Proc. Natl. Acad. Sci. U.S.A. 1992, 89, 8651-8655
-
(1992)
Proc. Natl. Acad. Sci. U.S.A.
, vol.89
, pp. 8651-8655
-
-
Brown, S.1
-
18
-
-
0030198861
-
Monoclonal antibody recognition of cholesterol monohydrate crystal faces
-
DOI 10.1016/S1074-5521(96)90148-9
-
Perl-Treves, D.; Kessler, N.; Izhaky, D.; Addadi, L. Monoclonal Antibody Recognition of Cholesterol Monohydrate Crystal Faces Chem. Biol. 1996, 3, 567-577 (Pubitemid 26324170)
-
(1996)
Chemistry and Biology
, vol.3
, Issue.7
, pp. 567-577
-
-
Perl-Treves, D.1
Kessler, N.2
Izhaky, D.3
Addadi, L.4
-
19
-
-
67249149765
-
Molecular Biomimetics: Nanotechnology and Molecular Medicine Utilizing Genetically Engineered Peptides
-
Tamerler, C.; Sarikaya, M. Molecular Biomimetics: Nanotechnology and Molecular Medicine Utilizing Genetically Engineered Peptides Philos. Trans. R. Soc. London, Ser. A 2009, 367, 1705-1726
-
(2009)
Philos. Trans. R. Soc. London, Ser. A
, vol.367
, pp. 1705-1726
-
-
Tamerler, C.1
Sarikaya, M.2
-
20
-
-
33749993224
-
Materials specificity and directed assembly of a gold-binding peptide
-
DOI 10.1002/smll.200600070
-
Tamerler, C.; Duman, M.; Oren, E. E.; Gungormous, M.; Xiong, X.; Kacar, T.; Parviz, B. A.; Sarikaya, M. Materials Specificity and Directed Assembly of a Gold-Binding Peptide Small 2006, 2, 1372-1378 (Pubitemid 44569184)
-
(2006)
Small
, vol.2
, Issue.11
, pp. 1372-1378
-
-
Tamerler, C.1
Duman, M.2
Oren, E.E.3
Gungormus, M.4
Xiong, X.5
Kacar, T.6
Parviz, B.A.7
Sarikaya, M.8
-
21
-
-
33749652802
-
Antibody molecules discriminate between crystalline facets of a gallium arsenide semiconductor
-
DOI 10.1021/nl0607636
-
Artzy-Schnirman, A.; Zahavi, E.; Yeger, H.; Rosenfeld, R.; Benhar, I.; Reiter, Y.; Sivan, U. Antibody Molecules Discriminate Between Crystalline Facets of a Gallium Arsenide Semiconductor Nano Lett. 2006, 6, 1870-1874 (Pubitemid 44555223)
-
(2006)
Nano Letters
, vol.6
, Issue.9
, pp. 1870-1874
-
-
Schnirman, A.A.1
Zahavi, E.2
Yeger, H.3
Rosenfeld, R.4
Benhar, I.5
Reiter, Y.6
Sivan, U.7
-
22
-
-
56149118133
-
A Two-State Electronic Antigen and an Antibody Selected to Discriminate between These States
-
Artzy-Schnirman, A.; Brod, E.; Epel, M.; Dines, M.; Hammer, T.; Benhar, I.; Reiter, Y.; Sivan, U. A Two-State Electronic Antigen and an Antibody Selected to Discriminate Between These States Nano Lett. 2008, 8, 3398-3403
-
(2008)
Nano Lett.
, vol.8
, pp. 3398-3403
-
-
Artzy-Schnirman, A.1
Brod, E.2
Epel, M.3
Dines, M.4
Hammer, T.5
Benhar, I.6
Reiter, Y.7
Sivan, U.8
-
23
-
-
0034621827
-
Selection of peptides with semiconductor binding specificity for directed nanocrystal assembly
-
DOI 10.1038/35015043
-
Whaley, S. R.; English, D. S.; Hu, E. L.; Barbara, P. F.; Belcher, A. M. Selection of Peptides with Semiconductor Binding Specificity for Directed Nanocrystal Assembly Nature 2000, 405, 665-668 (Pubitemid 30428648)
-
(2000)
Nature
, vol.405
, Issue.6787
, pp. 665-668
-
-
Whaley, S.R.1
English, D.S.2
Hu, E.L.3
Barbara, P.F.4
Belcher, A.M.5
-
24
-
-
9744243512
-
Binding Specificity of a Peptide on Semiconductor Surfaces
-
Goede, K.; Busch, P.; Grundmann, M. Binding Specificity of a Peptide on Semiconductor Surfaces Nano Lett. 2004, 4, 2115-2120
-
(2004)
Nano Lett.
, vol.4
, pp. 2115-2120
-
-
Goede, K.1
Busch, P.2
Grundmann, M.3
-
25
-
-
20344405234
-
Differential adhesion of amino acids to inorganic surfaces
-
DOI 10.1073/pnas.0408565102
-
Willet, R. L.; Baldwin, K. W.; West, K. W.; Pfeiffer, L. N. Differential Adhesion of Amino Acids to Inorganic Surfaces Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 7817-7822 (Pubitemid 40781021)
-
(2005)
Proceedings of the National Academy of Sciences of the United States of America
, vol.102
, Issue.22
, pp. 7817-7822
-
-
Willett, R.L.1
Baldwin, K.W.2
West, K.W.3
Pfeiffer, L.N.4
-
26
-
-
68649099249
-
Probing the Conformation and Orientation of Adsorbed Enzymes Using Side-Chain Modification
-
Wei, Y.; Fears, K. P.; Sivaraman, B.; Powell, G. L.; Wu, Y.; Latour, R. A. Probing the Conformation and Orientation of Adsorbed Enzymes Using Side-Chain Modification Langmuir 2009, 25, 9319-9327
-
(2009)
Langmuir
, vol.25
, pp. 9319-9327
-
-
Wei, Y.1
Fears, K.P.2
Sivaraman, B.3
Powell, G.L.4
Wu, Y.5
Latour, R.A.6
-
27
-
-
78650183774
-
Correlation between Desorption Force Measured by Atomic Force Microscopy and Adsorption Free Energy Measured by Surface Plasmon Resonance Spectroscopy for Peptide-Surface Interactions
-
Latour, R. A. Correlation Between Desorption Force Measured by Atomic Force Microscopy and Adsorption Free Energy Measured by Surface Plasmon Resonance Spectroscopy for Peptide-Surface Interactions Langmuir 2010, 26, 18852-18861
-
(2010)
Langmuir
, vol.26
, pp. 18852-18861
-
-
Latour, R.A.1
-
28
-
-
77955562565
-
Protein-Nanoparticle Interaction: Identification of the Ubiquitin-Gold Nanoparticle Interaction Site
-
Calzolai, L.; Franchini, F.; Gilliland, D.; Rossi, F. Protein-Nanoparticle Interaction: Identification of the Ubiquitin-Gold Nanoparticle Interaction Site Nano Lett. 2010, 10, 3101-3105
-
(2010)
Nano Lett.
, vol.10
, pp. 3101-3105
-
-
Calzolai, L.1
Franchini, F.2
Gilliland, D.3
Rossi, F.4
-
29
-
-
44349160733
-
Protein-protein docking by simulating the process of association subject to biochemical constraints
-
DOI 10.1002/prot.21867
-
Motiejunas, D.; Gabdoulline, R. R.; Wang, T.; Feldman-Salit, A.; Johann, T.; Winn, P. J.; Wade, R. C. Protein-Protein Docking by Simulating the Process of Association Subject to Biochemical Constraints Proteins 2008, 71, 1955-1969 (Pubitemid 351732948)
-
(2008)
Proteins: Structure, Function and Genetics
, vol.71
, Issue.4
, pp. 1955-1969
-
-
Motiejunas, D.1
Gabdoulline, R.2
Wang, T.3
Feldman-Salit, A.4
Johann, T.5
Winn, P.J.6
Wade, R.C.7
-
30
-
-
0032568645
-
Electrostatic steering and ionic tethering in enzyme-ligand binding: Insights from simulations
-
DOI 10.1073/pnas.95.11.5942
-
Wade, R. C.; Gabdoulline, R. R.; Ludemann, S. K.; Lounnas, V. Electrostatic Steering and Ionic Tethering in Enzyme-Ligand Binding: Insights from Simulations Proc. Natl. Acad. Sci. U.S.A. 1998, 95, 5942-5949 (Pubitemid 28248943)
-
(1998)
Proceedings of the National Academy of Sciences of the United States of America
, vol.95
, Issue.11
, pp. 5942-5949
-
-
Wade, R.C.1
Gabdoulline, R.R.2
Ludemann, S.K.3
Lounnas, V.4
-
31
-
-
11644261806
-
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
-
Morris, G. M.; Goodsell, D. S.; Halliday, R. S.; Huey, R.; Hart, W. E.; Belew, R. K.; Arthur J. Olson, A. J. Automated Docking Using a Lamarckian Genetic Algorithm and an Empirical Binding Free Energy Function J. Comput. Chem. 1998, 19, 1639-1662 (Pubitemid 128590223)
-
(1998)
Journal of Computational Chemistry
, vol.19
, Issue.14
, pp. 1639-1662
-
-
Morris, G.M.1
Goodsell, D.S.2
Halliday, R.S.3
Huey, R.4
Hart, W.E.5
Belew, R.K.6
Olson, A.J.7
-
32
-
-
0020491251
-
A Geometric Approach to Macromolecule-Ligand Interactions
-
Kuntz, I. D.; Blaney, J. M.; Oatley, S. J.; Langridge, R.; Ferrin, T. E. A Geometric Approach to Macromolecule-Ligand Interactions J. Mol. Biol. 1982, 161, 269-288
-
(1982)
J. Mol. Biol.
, vol.161
, pp. 269-288
-
-
Kuntz, I.D.1
Blaney, J.M.2
Oatley, S.J.3
Langridge, R.4
Ferrin, T.E.5
-
33
-
-
0033226561
-
Towards understanding the mechanisms of molecular recognition by computer simulations of ligand-protein interactions
-
DOI 10.1002/(SICI)1099-1352(199911/12)12:6<371::AID-JMR479>3.0. CO;2-O
-
Verkhivker, G. M.; Rejto, P. A.; Bouzida, D.; Arthur, S.; Colson, A. B.; Freer, S. T.; Gelhaar, D. K.; Larson, V.; Luty, B. A.; Marrone, T.; Rose, P. W. Towards Understanding the Mechanisms of Molecular Recognition by Computer Simulations of Ligand-Protein Interactions J. Mol. Recognit. 1999, 12, 371-389 (Pubitemid 30047297)
-
(1999)
Journal of Molecular Recognition
, vol.12
, Issue.6
, pp. 371-389
-
-
Verkhivker, G.M.1
Rejto, P.A.2
Bouzida, D.3
Arthurs, S.4
Colson, A.B.5
Freer, S.T.6
Gehlhaar, D.K.7
Larson, V.8
Luty, B.A.9
Marrone, T.10
Rose, P.W.11
-
34
-
-
3142735054
-
Brownian Dynamics Simulations of Simplified Cytochrome C Molecules in the Presence of a Charged Surface
-
Gorba, C.; Geyer, T.; Helms, V. Brownian Dynamics Simulations of Simplified Cytochrome C Molecules in the Presence of a Charged Surface J. Chem. Phys. 2004, 121, 457-464
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 457-464
-
-
Gorba, C.1
Geyer, T.2
Helms, V.3
-
35
-
-
0037013360
-
A Brownian Dynamics Study of the Initial Stages of Hen Egg-White Lysozyme Adsorption at a Solid Interface
-
Ravichandran, S.; Madura, J. D.; Talbot, J. A Brownian Dynamics Study of the Initial Stages of Hen Egg-White Lysozyme Adsorption at a Solid Interface J. Phys. Chem. B 2011, 105, 3610-3613
-
(2011)
J. Phys. Chem. B
, vol.105
, pp. 3610-3613
-
-
Ravichandran, S.1
Madura, J.D.2
Talbot, J.3
-
36
-
-
67650159736
-
GolP: An Atomistic Force-Field to Describe the Interaction of Proteins with Au(111) Surfaces
-
Iori, F.; Di Felice, R.; Molinari, E.; Corni, S. GolP: An Atomistic Force-Field to Describe the Interaction of Proteins with Au(111) Surfaces J. Comput. Chem. 2009, 30, 1465-1476
-
(2009)
J. Comput. Chem.
, vol.30
, pp. 1465-1476
-
-
Iori, F.1
Di Felice, R.2
Molinari, E.3
Corni, S.4
-
37
-
-
46449115547
-
Including Image Charge Effects in the Molecular Dynamics Simulations of Molecules on Metal Surfaces
-
Iori, F.; Corni, S. Including Image Charge Effects in the Molecular Dynamics Simulations of Molecules on Metal Surfaces J. Comput. Chem. 2008, 29, 1656-1666
-
(2008)
J. Comput. Chem.
, vol.29
, pp. 1656-1666
-
-
Iori, F.1
Corni, S.2
-
38
-
-
52649166799
-
Unraveling the Interaction between Histidine Side Chain and the Au(111) Surface: A DFT Study
-
Iori, F.; Corni, S.; Di Felice, R. Unraveling the Interaction Between Histidine Side Chain and the Au(111) Surface: A DFT Study J. Phys. Chem. C 2008, 112, 13540-13545
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 13540-13545
-
-
Iori, F.1
Corni, S.2
Di Felice, R.3
-
39
-
-
77952378812
-
ProMetCS: An Atomistic Force Field for Modeling Protein-Metal Surface Interactions in a Continuum Solvent
-
Kokh, D. B.; Corni, S.; Winn, P. J.; Hoefling, M.; Gottschalk, K. E.; Kay, E.; Wade, R. C. ProMetCS: An Atomistic Force Field for Modeling Protein-Metal Surface Interactions in a Continuum Solvent J. Chem. Theory Comput 2010, 6, 1753-1768
-
(2010)
J. Chem. Theory Comput
, vol.6
, pp. 1753-1768
-
-
Kokh, D.B.1
Corni, S.2
Winn, P.J.3
Hoefling, M.4
Gottschalk, K.E.5
Kay, E.6
Wade, R.C.7
-
40
-
-
77954562476
-
Interaction of Amino Acids with the Au(111) Surface: Adsorption Free Energies from Molecular Dynamics Simulations
-
Hoefling, M.; Iori, F.; Corni, S.; Gottschalk, K. E. Interaction of Amino Acids with the Au(111) Surface: Adsorption Free Energies from Molecular Dynamics Simulations Langmuir 2010, 26, 8347-8351
-
(2010)
Langmuir
, vol.26
, pp. 8347-8351
-
-
Hoefling, M.1
Iori, F.2
Corni, S.3
Gottschalk, K.E.4
-
41
-
-
33645807591
-
2 Surface Interaction in Solution by Ab Initio and Molecular Dynamics Simulations
-
2 Surface Interaction in Solution by Ab Initio and Molecular Dynamics Simulations J. Phys. Chem. B 2006, 110, 6160-6169
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 6160-6169
-
-
Carravetta, V.1
Monti, S.2
-
42
-
-
36749039258
-
RAD16II β-sheet filaments onto titanium dioxide: Dynamics and adsorption properties
-
DOI 10.1021/jp075154g
-
Monti, S. RAD16II β-Sheet Filaments onto Titanium Dioxide: Dynamics and Adsorption Properties J. Phys. Chem. C 2007, 111, 16962-16973 (Pubitemid 350207458)
-
(2007)
Journal of Physical Chemistry C
, vol.111
, Issue.45
, pp. 16962-16973
-
-
Monti, S.1
-
43
-
-
42949162627
-
Peptide adsorption on a hydrophobic surface results from an interplay of solvation, surface, and intrapeptide forces
-
DOI 10.1073/pnas.0707879105
-
Horinek, D.; Serr, A.; Geisler, M.; Pirzer, T.; Slotta, U.; Lud, S. Q.; Garrido, J. A.; Scheibel, T.; Hugel, T.; Netz, R. R. Peptide Adsorption on a Hydrophobic Surface Results from an Interplay of Solvation, Surface, and Intrapeptide Forces Proc. Natl. Acad. Sci. U.S.A. 2008, 105, 2842-2847 (Pubitemid 351723631)
-
(2008)
Proceedings of the National Academy of Sciences of the United States of America
, vol.105
, Issue.8
, pp. 2842-2847
-
-
Horinek, D.1
Serr, A.2
Geisler, M.3
Pirzer, T.4
Slotta, U.5
Lud, S.Q.6
Garrido, J.A.7
Scheibel, T.8
Hugel, T.9
Netz, R.R.10
-
44
-
-
0345708206
-
A Combined Atomic Force Microscopy and Molecular Dynamics Simulation Study on a Plastocyanin Mutant Chemisorbed on a Gold Surface
-
Bizzarri, A. R.; Costantini, G.; Cannistraro, S. A Combined Atomic Force Microscopy and Molecular Dynamics Simulation Study on a Plastocyanin Mutant Chemisorbed on a Gold Surface ChemPhysChem 2003, 4, 1189-1195
-
(2003)
ChemPhysChem
, vol.4
, pp. 1189-1195
-
-
Bizzarri, A.R.1
Costantini, G.2
Cannistraro, S.3
-
45
-
-
0025857852
-
The Interaction of a Point-Charge with an Aluminum(111) Surface
-
Finnis, M. W. The Interaction of a Point-Charge with an Aluminum(111) Surface Surf. Sci. 1991, 241, 61-72
-
(1991)
Surf. Sci.
, vol.241
, pp. 61-72
-
-
Finnis, M.W.1
-
46
-
-
62249214187
-
Long-Range Interactions between Polar Molecules and Metallic Surfaces: A Comparison of Classical and Density Functional Theory Based Models
-
Fernandez-Torre, D.; Kupiainen, O.; Pyykko, P.; Halonen, L. Long-Range Interactions Between Polar Molecules and Metallic Surfaces: A Comparison of Classical and Density Functional Theory Based Models Chem. Phys. Lett. 2009, 471, 239-243
-
(2009)
Chem. Phys. Lett.
, vol.471
, pp. 239-243
-
-
Fernandez-Torre, D.1
Kupiainen, O.2
Pyykko, P.3
Halonen, L.4
-
47
-
-
4243943295
-
Generalized gradient approximation made simple
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868 (Pubitemid 126631804)
-
(1996)
Physical Review Letters
, vol.77
, Issue.18
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
48
-
-
70349568754
-
QUANTUM ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials
-
Giannozzi, P.; Baroni, S.; Bonini, N.; Calandra, M.; Car, R.; Cavazzoni, C.; Ceresoli, D.; Chiarotti, G. L.; Cococcioni, M.; Dabo, I. QUANTUM ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials J. Phys.: Condens. Matter 2009, 21, 395502/1-395502/19
-
(2009)
J. Phys.: Condens. Matter
, vol.21
-
-
Giannozzi, P.1
Baroni, S.2
Bonini, N.3
Calandra, M.4
Car, R.5
Cavazzoni, C.6
Ceresoli, D.7
Chiarotti, G.L.8
Cococcioni, M.9
Dabo, I.10
-
50
-
-
0035997080
-
Supramolecular structure in full-length Alzheimer's β-amyloid fibrils: Evidence for a parallel β-sheet organization from solid-state nuclear magnetic resonance
-
Balbach, J. J.; Petkova, A. T.; Oyler, N. A.; Antzutkin, O. N.; Gordon, D. J.; Meredith, S. C.; Tycko, R. Supramolecular Structure in Full-Length Alzheimers β-Amyloid Fibrils: Evidence for a Parallel β-Sheet Organization from Solid-State Nuclear Magnetic Resonance Biophys. J. 2002, 83, 1205-1216 (Pubitemid 34803651)
-
(2002)
Biophysical Journal
, vol.83
, Issue.2
, pp. 1205-1216
-
-
Balbach, J.J.1
Petkova, A.T.2
Oyler, N.A.3
Antzutkin, O.N.4
Gordon, D.J.5
Meredith, S.C.6
Tycko, R.7
-
51
-
-
0031873102
-
β-sheet breaker peptides inhibit fibrillogenesis in a rat brain model of amyloidosis: Implications for Alzheimer's therapy
-
DOI 10.1038/nm0798-822
-
Soto, C.; Sigurdsson, E. M.; Morelli, L.; Kumar, R. A.; Castano, E.; Frangione, B. β-Sheet Breaker Peptides Inhibit Fibrillogenesis in a Rat Brain Model of Amyloidosis: Implications for Alzheimers Therapy Nat. Med. 1998, 4, 822-826 (Pubitemid 28331024)
-
(1998)
Nature Medicine
, vol.4
, Issue.7
, pp. 822-826
-
-
Soto, C.1
Sigurdsson, E.M.2
Morelli, L.3
Kumar, R.A.4
Castano, E.M.5
Frangione, B.6
-
52
-
-
0021481142
-
Wettability of Clean Metal Surfaces
-
Schrader, M. E. Wettability of Clean Metal Surfaces J. Colloid Interface Sci. 1984, 100, 372-380
-
(1984)
J. Colloid Interface Sci.
, vol.100
, pp. 372-380
-
-
Schrader, M.E.1
-
53
-
-
34547207176
-
Large area, molecularly smooth (0.2 nm rms) gold films for surface forces and other studies
-
DOI 10.1021/la063738o
-
Chai, L.; Klein, J. Large Area, Molecularly Smooth (0.2 nm rms) Gold Films for Surface Forces and Other Studies Langmuir 2007, 23, 7777-7783 (Pubitemid 47116445)
-
(2007)
Langmuir
, vol.23
, Issue.14
, pp. 7777-7783
-
-
Chai, L.1
Klein, J.2
-
54
-
-
78149334746
-
Molecular Docking
-
Ganten, D.; Ruckpaul, K., Eds.; Springer: New York
-
Schleinkofer, K.; Wang, T.; Wade, R. C. Molecular Docking. In Encyclopedic Reference of Genomics and Proteomics in Molecular Medicine; Ganten, D.; Ruckpaul, K., Eds.; Springer: New York, 2006; pp 1149-1153.
-
(2006)
Encyclopedic Reference of Genomics and Proteomics in Molecular Medicine
, pp. 1149-1153
-
-
Schleinkofer, K.1
Wang, T.2
Wade, R.C.3
-
55
-
-
0036468385
-
Prediction of protein-protein interactions by docking methods
-
DOI 10.1016/S0959-440X(02)00285-3
-
Smith, G. R.; Sternberg, M. J. E. Prediction of Protein-Protein Interactions by Docking Methods Curr. Opin. Struct. Biol. 2002, 12, 28-35 (Pubitemid 34142717)
-
(2002)
Current Opinion in Structural Biology
, vol.12
, Issue.1
, pp. 28-35
-
-
Smith, G.R.1
Sternberg, M.J.E.2
-
56
-
-
0036468396
-
Protein-protein association kinetics and protein docking
-
DOI 10.1016/S0959-440X(02)00286-5
-
Camacho, C. J.; Vajda, S. Protein-Protein Association Kinetics and Protein Docking Curr. Opin. Struct. Biol. 2002, 12, 36-40 (Pubitemid 34142718)
-
(2002)
Current Opinion in Structural Biology
, vol.12
, Issue.1
, pp. 36-40
-
-
Camacho, C.J.1
Vajda, S.2
-
57
-
-
0036468995
-
Kinetic studies of protein-protein interactions
-
DOI 10.1016/S0959-440X(02)00287-7
-
Schreiber, G. Kinetic Studies of Protein-Protein Interactions Curr. Opin. Struct. Biol. 2002, 12, 41-47 (Pubitemid 34142719)
-
(2002)
Current Opinion in Structural Biology
, vol.12
, Issue.1
, pp. 41-47
-
-
Schreiber, G.1
-
58
-
-
79952108731
-
Ligand Macromolecule Interactions: Theoretical Principles of Molecular Recognition
-
Nolan, T.; Singh, N.; McCurdy, C. R. Ligand Macromolecule Interactions: Theoretical Principles of Molecular Recognition Methods Mol. Biol. 2009, 572, 13-29
-
(2009)
Methods Mol. Biol.
, vol.572
, pp. 13-29
-
-
Nolan, T.1
Singh, N.2
McCurdy, C.R.3
-
59
-
-
0030891436
-
Simulation of the diffusional association of barnase and barstar
-
Gabdoulline, R. R.; Wade, R. C. Simulation of the Diffusional Association of Barnase and Barstar Biophys. J. 1997, 72, 1917-1929 (Pubitemid 27184422)
-
(1997)
Biophysical Journal
, vol.72
, Issue.5
, pp. 1917-1929
-
-
Gabdoulline, R.R.1
Wade, R.C.2
-
60
-
-
0031714012
-
Brownian Dynamics Simulation of Protein-Protein Encounter
-
Gabdoulline, R. R.; Wade, R. C. Brownian Dynamics Simulation of Protein-Protein Encounter Methods 1998, 3, 329-341
-
(1998)
Methods
, vol.3
, pp. 329-341
-
-
Gabdoulline, R.R.1
Wade, R.C.2
-
61
-
-
78751611891
-
A Quantitative, Real-Time Assessment of Binding of Peptides and Proteins to Gold Surfaces
-
Cohavi, O.; Reichmann, D.; Abramovich, R.; Tesler, A. B.; Bellapadrona, G.; Kokh, D. B.; Wade, R. C.; Vaskevich, A.; Rubinstein, I.; Schreiber, G. A Quantitative, Real-Time Assessment of Binding of Peptides and Proteins to Gold Surfaces Chem.-Eur. J. 2011, 17, 1327-1336
-
(2011)
Chem.-Eur. J.
, vol.17
, pp. 1327-1336
-
-
Cohavi, O.1
Reichmann, D.2
Abramovich, R.3
Tesler, A.B.4
Bellapadrona, G.5
Kokh, D.B.6
Wade, R.C.7
Vaskevich, A.8
Rubinstein, I.9
Schreiber, G.10
-
62
-
-
4243606192
-
Unified Approach for Molecular Dynamics and Density Functional Theory
-
Car, R.; Parrinello, M. Unified Approach for Molecular Dynamics and Density Functional Theory Phys. Rev. Lett. 1985, 55, 2471-2474
-
(1985)
Phys. Rev. Lett.
, vol.55
, pp. 2471-2474
-
-
Car, R.1
Parrinello, M.2
-
63
-
-
77950830266
-
Hydroxyl-Rich β-Sheet Adhesion to the Gold Surface in Water by First-Principle Simulations
-
Calzolari, A.; Cicero, G.; Cavazzoni, C.; Di Felice, R.; Catellani, A.; Corni, S. Hydroxyl-Rich β-Sheet Adhesion to the Gold Surface in Water by First-Principle Simulations J. Am. Chem. Soc. 2010, 132, 4790-4795
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 4790-4795
-
-
Calzolari, A.1
Cicero, G.2
Cavazzoni, C.3
Di Felice, R.4
Catellani, A.5
Corni, S.6
-
64
-
-
51449087199
-
New Insights on Growth Mechanisms of Protein Clusters at Surfaces: An AFM and Simulation Study
-
Pellenc, D.; Bennet, R. A.; Green, R. J.; Sperrin, M.; Mulheran, P. A. New Insights on Growth Mechanisms of Protein Clusters at Surfaces: An AFM and Simulation Study Langmuir 2008, 24, 9648-9655
-
(2008)
Langmuir
, vol.24
, pp. 9648-9655
-
-
Pellenc, D.1
Bennet, R.A.2
Green, R.J.3
Sperrin, M.4
Mulheran, P.A.5
-
65
-
-
39749192202
-
Phenylalanine near inorganic surfaces: Conformational statistics vs specific chemistry
-
DOI 10.1021/ja077817d
-
Ghiringhelli, L. M.; Delle Site, L. Phenylalanine near Inorganic Surfaces: Conformational Statistics vs Specific Chemistry J. Am. Chem. Soc. 2008, 130, 2634-2638 (Pubitemid 351304778)
-
(2008)
Journal of the American Chemical Society
, vol.130
, Issue.8
, pp. 2634-2638
-
-
Ghiringhelli, L.M.1
Delle Site, L.2
-
66
-
-
34248653737
-
Interaction of hydrated amino acids with metal surfaces: A multiscale modeling description
-
DOI 10.1021/jp065568u
-
Schravendijk, P.; Ghiringhelli, L. M.; Delle Site, L.; van der Vegt, N. F. A. Interaction of Hydrated Amino Acids with Metal Surfaces: A Multiscale Modeling Description J. Phys. Chem. C 2007, 111, 2631-2642 (Pubitemid 46774502)
-
(2007)
Journal of Physical Chemistry C
, vol.111
, Issue.6
, pp. 2631-2642
-
-
Schravendijk, P.1
Ghiringhelli, L.M.2
Site, L.D.3
Van Der Vegt, N.F.A.4
-
67
-
-
34249102684
-
Atomistic simulation of alkanethiol self-assembled monolayers on different metal surfaces via a quantum, first-principles parametrization of the sulfur-metal interaction
-
DOI 10.1021/jp067347u
-
Alexiadis, O.; Harmandaris, V. A.; Mavrantzas, V. G.; Delle Site, L. Atomistic Simulation of Alkanethiol Self-Assembled Monolayers on Different Metal Surfaces via a Quantum, First-Principles Parameterization of the Sulfur-Metal Interaction J. Phys. Chem. C 2007, 111, 6380-6391 (Pubitemid 46787859)
-
(2007)
Journal of Physical Chemistry C
, vol.111
, Issue.17
, pp. 6380-6391
-
-
Alexiadis, O.1
Harmandaris, V.A.2
Mavrantzas, V.G.3
Site, L.D.4
-
68
-
-
33746650444
-
Adsorption of Alanine on a Ni(111) Surface: A Multiscale Modeling Oriented Density Functional Study
-
Ghiringhelli, L. M.; Schravendijk, P.; Delle Site, L. Adsorption of Alanine on a Ni(111) Surface: A Multiscale Modeling Oriented Density Functional Study Phys. Rev. B 2006, 74, 035437/1-035437/8
-
(2006)
Phys. Rev. B
, vol.74
-
-
Ghiringhelli, L.M.1
Schravendijk, P.2
Delle Site, L.3
-
69
-
-
13844298226
-
Multiscale modeling of polymers on a surface: From ab initio density functional calculations of molecular adsorption to large-scale properties
-
DOI 10.1002/qua.20330, Proceedings of the Tenth International Conference on the Applications of Density Functional Theory in Chemistry and Physics - Part II of II
-
Delle Site, L.; Kremer, K. Multiscale Modeling of Polymers on a Surface: From Ab Initio Density Functional Calculations of Molecular Adsorption to Large Scale Properties Int. J. Quantum Chem. 2005, 101, 733-739 (Pubitemid 40253448)
-
(2005)
International Journal of Quantum Chemistry
, vol.101
, Issue.6
, pp. 733-739
-
-
Delle Site, L.1
Kremer, K.2
-
70
-
-
53549123870
-
Competing Adsorption between Hydrated Peptides and Water onto Metal Surfaces: From Electronic to Conformational Properties
-
Ghiringhelli, L. M.; Hess, B.; van der Vegt, N. F. A.; Delle Site, L. Competing Adsorption Between Hydrated Peptides and Water onto Metal Surfaces: From Electronic to Conformational Properties J. Am. Chem. Soc. 2008, 130, 13460-13464
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 13460-13464
-
-
Ghiringhelli, L.M.1
Hess, B.2
Van Der Vegt, N.F.A.3
Delle Site, L.4
-
71
-
-
79951502137
-
A Classical Potential to Model the Adsorption of Biological Molecules on Oxidized Titanium Surfaces
-
Schneider, J.; Colombi Ciacchi, L. A Classical Potential to Model the Adsorption of Biological Molecules on Oxidized Titanium Surfaces J. Chem. Theory Comput 2011, 7, 473-484
-
(2011)
J. Chem. Theory Comput
, vol.7
, pp. 473-484
-
-
Schneider, J.1
Colombi Ciacchi, L.2
-
72
-
-
71749085441
-
Water Structuring and Collagen Adsorption at Hydrophilic and Hydrophobic Silicon Surfaces
-
Cole, D. J.; Payne, M. C.; Colombi Ciacchi, L. Water Structuring and Collagen Adsorption at Hydrophilic and Hydrophobic Silicon Surfaces Phys. Chem. Chem. Phys. 2009, 11, 11395-11399
-
(2009)
Phys. Chem. Chem. Phys.
, vol.11
, pp. 11395-11399
-
-
Cole, D.J.1
Payne, M.C.2
Colombi Ciacchi, L.3
-
73
-
-
65249180872
-
Affinity Scale for the Interaction of Amino Acids with Silica Surfaces
-
Rimola, A.; Sodupe, M.; Ugliengo, P. Affinity Scale for the Interaction of Amino Acids with Silica Surfaces J. Phys. Chem. C 2009, 113, 5741-5750
-
(2009)
J. Phys. Chem. C
, vol.113
, pp. 5741-5750
-
-
Rimola, A.1
Sodupe, M.2
Ugliengo, P.3
-
74
-
-
66649120341
-
The Role of Defective Silica Surfaces in Exogenous Delivery of Prebiotic Compounds: Clues from First Principles Calculations
-
Rimola, A.; Ugliengo, P. The Role of Defective Silica Surfaces in Exogenous Delivery of Prebiotic Compounds: Clues from First Principles Calculations Phys. Chem. Chem. Phys. 2009, 11, 2497-2506
-
(2009)
Phys. Chem. Chem. Phys.
, vol.11
, pp. 2497-2506
-
-
Rimola, A.1
Ugliengo, P.2
-
75
-
-
70350029656
-
Ab Initio Modeling of Protein/Biomaterial Interactions: Competitive Adsorption between Glycine and Water onto Hydroxyapatite Surfaces
-
Rimola, A.; Corno, M.; Zicovich-Wilson, C. M.; Ugliengo, P. Ab Initio Modeling of Protein/Biomaterial Interactions: Competitive Adsorption Between Glycine and Water onto Hydroxyapatite Surfaces Phys. Chem. Chem. Phys. 2009, 11, 9005-9007
-
(2009)
Phys. Chem. Chem. Phys.
, vol.11
, pp. 9005-9007
-
-
Rimola, A.1
Corno, M.2
Zicovich-Wilson, C.M.3
Ugliengo, P.4
-
76
-
-
0036392715
-
Genetically Engineered Gold-Binding Polypeptides: Structure Prediction and Molecular Dynamics
-
Braun, R.; Sarikaya, M.; Schulten, K. S. Genetically Engineered Gold-Binding Polypeptides: Structure Prediction and Molecular Dynamics J. Biomater. Sci. 2002, 13, 747-758
-
(2002)
J. Biomater. Sci.
, vol.13
, pp. 747-758
-
-
Braun, R.1
Sarikaya, M.2
Schulten, K.S.3
-
77
-
-
56549109784
-
Accurate Simulation of Surfaces and Interfaces of Face-Centered Cubic Metals Using 12-6 and 9-6 Lennard-Jones Potentials
-
Heinz, H.; Vaia, R. A.; Farmer, B. L.; Naik, R. R. Accurate Simulation of Surfaces and Interfaces of Face-Centered Cubic Metals Using 12-6 and 9-6 Lennard-Jones Potentials J. Phys. Chem. C 2008, 112, 17281-17290
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 17281-17290
-
-
Heinz, H.1
Vaia, R.A.2
Farmer, B.L.3
Naik, R.R.4
-
78
-
-
67650457696
-
Nature of Molecular Interactions of Peptides with Gold, Palladium, and Pd-Au Bimetal Surfaces in Aqueous Solution
-
Heinz, H.; Farmer, B. L.; Pandey, R. B.; Slocik, J. M.; Patnaik, S. S.; Pachter, R.; Naik, R. R. Nature of Molecular Interactions of Peptides with Gold, Palladium, and Pd-Au Bimetal Surfaces in Aqueous Solution J. Am. Chem. Soc. 2009, 131, 9704-9714
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 9704-9714
-
-
Heinz, H.1
Farmer, B.L.2
Pandey, R.B.3
Slocik, J.M.4
Patnaik, S.S.5
Pachter, R.6
Naik, R.R.7
-
79
-
-
67649187881
-
Towards Understanding Amino Acid Adsorption at Metallic Interfaces: A Density Functional Theory Study
-
Hong, G.; Heinz, H.; Naik, R. R.; Farmer, B. L.; Pachter, R. Towards Understanding Amino Acid Adsorption at Metallic Interfaces: A Density Functional Theory Study ACS Appl. Mater. Interf. 2009, 1, 388-392
-
(2009)
ACS Appl. Mater. Interf.
, vol.1
, pp. 388-392
-
-
Hong, G.1
Heinz, H.2
Naik, R.R.3
Farmer, B.L.4
Pachter, R.5
-
80
-
-
68849090298
-
Investigating the Specificity of Peptide Adsorption on Gold Using Molecular Dynamics Simulations
-
Vila Verde, A.; Acres, J. M.; Maranas, J. K. Investigating the Specificity of Peptide Adsorption on Gold Using Molecular Dynamics Simulations Biomacromolecules 2009, 10, 2118-2128
-
(2009)
Biomacromolecules
, vol.10
, pp. 2118-2128
-
-
Vila Verde, A.1
Acres, J.M.2
Maranas, J.K.3
-
81
-
-
33947397117
-
Atomistic Modelling of the Interaction between Peptides and Carbon Nanotubes
-
de Miranda Tomasio, S.; Walsh, T. R. Atomistic Modelling of the Interaction Between Peptides and Carbon Nanotubes Mol. Phys. 2007, 105, 221
-
(2007)
Mol. Phys.
, vol.105
, pp. 221
-
-
De Miranda Tomasio, S.1
Walsh, T.R.2
-
82
-
-
67649216262
-
Modeling the Binding Affinity of Peptides for Graphitic Surfaces. Influences of Aromatic Content and Interfacial Shape
-
Tomaésio, S. M.; Walsh, T. R. Modeling the Binding Affinity of Peptides for Graphitic Surfaces. Influences of Aromatic Content and Interfacial Shape J. Phys. Chem. C 2009, 113, 8778-8785
-
(2009)
J. Phys. Chem. C
, vol.113
, pp. 8778-8785
-
-
Tomaésio, S.M.1
Walsh, T.R.2
-
83
-
-
77954250553
-
Probing the Molecular Mechanisms of Quartz-Binding Peptides
-
Oren, E. E.; Notman, R.; Kim, I. W.; Spencer Evans, J.; Walsh, T. R.; Samudrala, R.; Tamerler, C.; Sarikaya, M. Probing the Molecular Mechanisms of Quartz-Binding Peptides Langmuir 2010, 26, 11003-11009
-
(2010)
Langmuir
, vol.26
, pp. 11003-11009
-
-
Oren, E.E.1
Notman, R.2
Kim, I.W.3
Spencer Evans, J.4
Walsh, T.R.5
Samudrala, R.6
Tamerler, C.7
Sarikaya, M.8
-
84
-
-
34248598110
-
Interaction of liquid water with the rutile TiO2 (110) surface
-
DOI 10.1080/17441690701191693, PII 778683673
-
2 (110) Surface Mol. Simul. 2007, 33, 379-389 (Pubitemid 46761307)
-
(2007)
Molecular Simulation
, vol.33
, Issue.4-5
, pp. 379-389
-
-
Skelton, A.A.1
Walsh, T.R.2
-
85
-
-
34248353968
-
Molecular dynamics simulations of collagen-like peptide adsorption on titanium-based material surfaces
-
DOI 10.1021/jp070266t
-
Monti, S. Molecular Dynamics Simulations of Collagen-Like Peptide Adsorption on Titanium-Based Material Surfaces J. Phys. Chem. C 2007, 111, 6086-6094 (Pubitemid 46732909)
-
(2007)
Journal of Physical Chemistry C
, vol.111
, Issue.16
, pp. 6086-6094
-
-
Monti, S.1
-
86
-
-
77954023023
-
Simulating DNA Hybridization on an Amine-Functionalized Silicon Substrate
-
Monti, S.; Cacelli, I.; Ferretti, A.; Prampolini, G.; Barone, V. Simulating DNA Hybridization on an Amine-Functionalized Silicon Substrate J. Phys. Chem B 2010, 114, 8341-8349
-
(2010)
J. Phys. Chem B
, vol.114
, pp. 8341-8349
-
-
Monti, S.1
Cacelli, I.2
Ferretti, A.3
Prampolini, G.4
Barone, V.5
-
87
-
-
78650160944
-
Microscopic Mechanism of Specific Peptide Adhesion to Semiconductor Substrates
-
Bachmann, M.; Goede, K.; Beck-Sickinger, A. G.; Grundmann, M.; Irbäck, A.; Janke, W. Microscopic Mechanism of Specific Peptide Adhesion to Semiconductor Substrates Angew. Chem., Int. Ed. 2010, 49, 9530-9533
-
(2010)
Angew. Chem., Int. Ed.
, vol.49
, pp. 9530-9533
-
-
Bachmann, M.1
Goede, K.2
Beck-Sickinger, A.G.3
Grundmann, M.4
Irbäck, A.5
Janke, W.6
-
88
-
-
20744434424
-
Prediction of the orientations of adsorbed protein using an empirical energy function with implicit solvation
-
DOI 10.1021/la046932o
-
Sun, Y.; Welsh, W. J.; Latour, R. A. Prediction of the Orientations of Adsorbed Protein Using an Empirical Energy Function with Implicit Solvation Langmuir 2005, 21, 5616-5626 (Pubitemid 40850653)
-
(2005)
Langmuir
, vol.21
, Issue.12
, pp. 5616-5626
-
-
Sun, Yu.1
Welsh, W.J.2
Latour, R.A.3
-
89
-
-
34547267323
-
Comparison of solvation-effect methods for the simulation of peptide interactions with a hydrophobic surface
-
DOI 10.1002/jcc.20716
-
Sun, Y.; Dominy, B. N.; Latour, R. A. Comparison of Solvation-Effect Methods for the Simulation of Peptide Interactions with a Hydrophobic Surface J. Comput. Chem. 2007, 28, 1883-1892 (Pubitemid 47153616)
-
(2007)
Journal of Computational Chemistry
, vol.28
, Issue.11
, pp. 1883-1892
-
-
Sun, Y.U.1
Dominy, B.N.2
Latour, R.A.3
-
90
-
-
66249119965
-
Molecular Dynamics Simulation of Protein-Surface Interactions: Benefits, Problems, Solutions, and Future Directions
-
Latour, R. A. Molecular Dynamics Simulation of Protein-Surface Interactions: Benefits, Problems, Solutions, and Future Directions Biointerphases 2008, 3, FC2-FC12
-
(2008)
Biointerphases
, vol.3
-
-
Latour, R.A.1
-
91
-
-
36049046635
-
An Improved Replica-Exchange Sampling Method: Temperature Intervals with Global Energy Reassignment (TIGER)
-
/1-164116/10
-
Li, X. F.; OBrien, C. P.; Collier, G.; Vellore, N. A.; Wang, F.; Bruce, D. A.; Stuart, S. J.; Latour, R. A. An Improved Replica-Exchange Sampling Method: Temperature Intervals with Global Energy Reassignment (TIGER) J. Chem. Phys. 2007, 127, 164116 /1-164116/10
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 164116
-
-
Li, X.F.1
Obrien, C.P.2
Collier, G.3
Vellore, N.A.4
Wang, F.5
Bruce, D.A.6
Stuart, S.J.7
Latour, R.A.8
-
92
-
-
65549124993
-
TIGER2: An Improved Algorithm for Temperature Intervals with Global Exchange of Replicas
-
Li, X.; Stuart, S. J.; Latour, R. A. TIGER2: An Improved Algorithm for Temperature Intervals with Global Exchange of Replicas J. Chem. Phys. 2009, 130, 174106/1-174106/9
-
(2009)
J. Chem. Phys.
, vol.130
-
-
Li, X.1
Stuart, S.J.2
Latour, R.A.3
-
93
-
-
77956246697
-
De Dovo Design of Peptide-Calcite Biomineralization Systems
-
Masica, D. L.; Schrier, S. B.; Specht, E. A.; Gray, J. J. De Dovo Design of Peptide-Calcite Biomineralization Systems J. Am. Chem. Soc. 2010, 132, 12252-12262
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 12252-12262
-
-
Masica, D.L.1
Schrier, S.B.2
Specht, E.A.3
Gray, J.J.4
-
94
-
-
57349101729
-
Computational Techniques at the Organic-Inorganic Interface in Biomineralization
-
Harding, J. H.; Duffy, D. M.; Sushko, M. L.; Rodger, P. M.; Quigley, D.; Elliot, J. A. Computational Techniques at the Organic-Inorganic Interface in Biomineralization Chem. Rev. 2008, 108, 4823-4854
-
(2008)
Chem. Rev.
, vol.108
, pp. 4823-4854
-
-
Harding, J.H.1
Duffy, D.M.2
Sushko, M.L.3
Rodger, P.M.4
Quigley, D.5
Elliot, J.A.6
-
95
-
-
33645725174
-
Simulating an electrochemical interface using charge dynamics
-
Guymon, C. G.; Rowley, R. L.; Harb, J. N.; Wheeler, D. R. Simulating an Electrochemical Interface Using Charge Dynamics Condens. Matter Phys. 2005, 8, 335-356 (Pubitemid 43664311)
-
(2005)
Condensed Matter Physics
, vol.8
, Issue.2
, pp. 335-356
-
-
Guymon, C.G.1
Rowley, R.L.2
Harb, J.N.3
Wheeler, D.R.4
-
96
-
-
40449116114
-
De novo computational design of retro-aldol enzymes
-
DOI 10.1126/science.1152692
-
Jiang, L.; Althoff, E. A.; Clemente, F. R.; Doyle, L.; Röthlisberger, D.; Zanghellini, A.; Gallaher, J. L.; Betker, J. L.; Tanaka, F.; Barbas, C. F., III; Hilvert, D.; Houk, K. N.; Stoddard, B. L.; Baker, D. De Novo Computational Design of Retro-Aldol Enzymes Science 2008, 319, 1387-1391 (Pubitemid 351354873)
-
(2008)
Science
, vol.319
, Issue.5868
, pp. 1387-1391
-
-
Jiang, L.1
Althoff, E.A.2
Clemente, F.R.3
Doyle, L.4
Rothlisberger, D.5
Zanghellini, A.6
Gallaher, J.L.7
Betker, J.L.8
Tanaka, F.9
Barbas III, C.F.10
Hilvert, D.11
Houk, K.N.12
Stoddard, B.L.13
Baker, D.14
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