-
1
-
-
0012252082
-
-
Oxford University Press: New York, NY, USA
-
Taylor, M.E.; Drickamer, K. Introduction to Glycobiology, 3rd ed.; Oxford University Press: New York, NY, USA, 2011.
-
(2011)
Introduction to Glycobiology, 3rd Ed.
-
-
Taylor, M.E.1
Drickamer, K.2
-
2
-
-
0004106191
-
-
Cold Spring Harbor Laboratory Press: Cold Spring Harbor, NY, USA
-
Varki, A.; Cummings, R.D.; Esko, J.D.; Freeze, H.H.; Stanley, P.; Bertozzi, C.R.; Hart, G.W.; Etzler, M.E. Essentials of Glycobiology, 2nd ed.; Cold Spring Harbor Laboratory Press: Cold Spring Harbor, NY, USA, 2009.
-
(2009)
Essentials of Glycobiology, 2nd Ed.
-
-
Varki, A.1
Cummings, R.D.2
Esko, J.D.3
Freeze, H.H.4
Stanley, P.5
Bertozzi, C.R.6
Hart, G.W.7
Etzler, M.E.8
-
3
-
-
0029094651
-
Mutational analysis of the Ricinus lectin B-chains galactose-binding ability of the 2γ subdomain of Ricinus communis agglutinin B-chain
-
Sphyris, N.; Lord, J.M.; Wales, R.; Roberts, L.M. Mutational analysis of the Ricinus lectin B-chains galactose-binding ability of the 2γ subdomain of Ricinus communis agglutinin B-chain. J. Biol. Chem. 1995, 270, 20292-20297.
-
(1995)
J. Biol. Chem.
, vol.270
, pp. 20292-20297
-
-
Sphyris, N.1
Lord, J.M.2
Wales, R.3
Roberts, L.M.4
-
4
-
-
0037069682
-
HIV-1 evades antibody-mediated neutralization through conformational masking of receptor-binding sites
-
Kwong, P.D.; Doyle, M.L.; Casper, J.D.; Cicala, C.; Leavitt, S.A.; Majeed, S.; Steenbeke, T.D.; Venturi, M.; Chaiken, I.; Fung, M.; et al. HIV-1 evades antibody-mediated neutralization through conformational masking of receptor-binding sites. Nature 2002, 420, 678-682.
-
(2002)
Nature
, vol.420
, pp. 678-682
-
-
Kwong, P.D.1
Doyle, M.L.2
Casper, J.D.3
Cicala, C.4
Leavitt, S.A.5
Majeed, S.6
Steenbeke, T.D.7
Venturi, M.8
Chaiken, I.9
Fung, M.10
-
5
-
-
39049147617
-
GLYCAM06: A generalizable biomolecular force field
-
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. 2007, 29, 622-655.
-
(2007)
Carbohydrates. J. Comput. Chem.
, vol.29
, 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
-
6
-
-
44449128912
-
Structural Glycobiology: A Game of Snakes and Ladders
-
DeMarco, M.L.; Woods, R.J. Structural Glycobiology: A Game of Snakes and Ladders. Glycobiology 2008, 18, 426-440.
-
(2008)
Glycobiology
, vol.18
, pp. 426-440
-
-
DeMarco, M.L.1
Woods, R.J.2
-
7
-
-
0033972258
-
Relative Energies of Binding for Antibody-Carbohydrate-Antigen Complexes Computed from Free-Energy Simulations
-
Pathiaseril, A.; Woods, R.J. Relative Energies of Binding for Antibody-Carbohydrate-Antigen Complexes Computed from Free-Energy Simulations. J. Am. Chem. Soc. 2000, 122, 331-338.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 331-338
-
-
Pathiaseril, A.1
Woods, R.J.2
-
9
-
-
25444501243
-
Neuraminidase Inhibitors for Influenza
-
Moscona, A. Neuraminidase Inhibitors for Influenza. N. Engl. J. Med. 2005, 353, 1363-1373.
-
(2005)
N. Engl. J. Med.
, vol.353
, pp. 1363-1373
-
-
Moscona, A.1
-
10
-
-
84921661515
-
Lectins with Anti-HIV Activity: A Review
-
Akkouh, O.; Ng, T.B.; Singh, S.S.; Yin, C.; Dan, X.; Chan, Y.S.; Pan, W.; Cheung, R.C.F. Lectins with Anti-HIV Activity: A Review. Molecules 2015, 20, 648-668.
-
(2015)
Molecules
, vol.20
, pp. 648-668
-
-
Akkouh, O.1
Ng, T.B.2
Singh, S.S.3
Yin, C.4
Dan, X.5
Chan, Y.S.6
Pan, W.7
Cheung, R.C.F.8
-
11
-
-
27244458194
-
Crystal structures of complexes between aminoglycosides and decoding A site oligonucleotides: Role of the number of rings and positive charges in the specific binding leading to miscoding
-
Francois, B.; Russell, R.J.M.; Murray, J.B.; Aboul-ela, F.; Masquida, B.; Vicens, Q.; Westhof, E. Crystal structures of complexes between aminoglycosides and decoding A site oligonucleotides: role of the number of rings and positive charges in the specific binding leading to miscoding. Nucleic Acids Res. 2005, 33, 5677-5690.
-
(2005)
Nucleic Acids Res.
, vol.33
, pp. 5677-5690
-
-
Francois, B.1
Russell, R.J.M.2
Murray, J.B.3
Aboul-ela, F.4
Masquida, B.5
Vicens, Q.6
Westhof, E.7
-
12
-
-
0033797419
-
Sugar-lectin interactions: Sugar clusters, lectin multivalency and avidity
-
Michel, M.; Mayer, R.; Roche, A. Sugar-lectin interactions: Sugar clusters, lectin multivalency and avidity. Carbohydr. Lett. 2000, 4, 35-52.
-
(2000)
Carbohydr. Lett.
, vol.4
, pp. 35-52
-
-
Michel, M.1
Mayer, R.2
Roche, A.3
-
14
-
-
0034442307
-
Affinity enhancement by multivalent lectin-carbohydrate interaction
-
Lee, R.T.; Lee, Y.C. Affinity enhancement by multivalent lectin-carbohydrate interaction. Glycoconj. J. 2000, 17, 543-551.
-
(2000)
Glycoconj. J.
, vol.17
, pp. 543-551
-
-
Lee, R.T.1
Lee, Y.C.2
-
16
-
-
0029952519
-
Structural Basis of Lectin-Carbohydrate Recognition
-
Weis, W.I.; Drickamer, K. Structural Basis of Lectin-Carbohydrate Recognition. Annu. Rev. Biochem. 1996, 65, 441-473.
-
(1996)
Annu. Rev. Biochem.
, vol.65
, pp. 441-473
-
-
Weis, W.I.1
Drickamer, K.2
-
17
-
-
7244258916
-
History of lectins: From hemagglutinins to biological recognition molecules
-
Sharon, N.; Lis, H. History of lectins: From hemagglutinins to biological recognition molecules. Glycobiology 2004, 14, 53R-62R.
-
(2004)
Glycobiology
, vol.14
, pp. 53R-62R
-
-
Sharon, N.1
Lis, H.2
-
18
-
-
29144452851
-
The C-type lectin-like domain superfamily
-
Zelensky, A.N.; Gready, J.E. The C-type lectin-like domain superfamily. FEBS J. 2005, 272, 6179-6217.
-
(2005)
FEBS J.
, vol.272
, pp. 6179-6217
-
-
Zelensky, A.N.1
Gready, J.E.2
-
20
-
-
0037136417
-
Principles of structures of animal and plant lectins
-
Loris, R. Principles of structures of animal and plant lectins. Biochim. Biophys. Acta 2002, 1572, 198-208.
-
(2002)
Biochim. Biophys. Acta
, vol.1572
, pp. 198-208
-
-
Loris, R.1
-
21
-
-
4744368323
-
Carbohydrate-binding modules: Fine-tuning polysaccharide recognition
-
Boraston, A.B.; Bolam, D.N.; Gilbert, H.J.; Davies, G.J. Carbohydrate-binding modules: Fine-tuning polysaccharide recognition. Biochem. J. 2004, 382, 769-781.
-
(2004)
Biochem. J.
, vol.382
, pp. 769-781
-
-
Boraston, A.B.1
Bolam, D.N.2
Gilbert, H.J.3
Davies, G.J.4
-
22
-
-
33745161547
-
Carbohydrate Binding Modules: Biochemical Properties and Novel Applications
-
Shoseyov, O.; Shani, Z.; Levy, I. Carbohydrate Binding Modules: Biochemical Properties and Novel Applications. Microbiol. Mol. Biol. Rev. 2006, 70, 283-295.
-
(2006)
Microbiol. Mol. Biol. Rev.
, vol.70
, pp. 283-295
-
-
Shoseyov, O.1
Shani, Z.2
Levy, I.3
-
23
-
-
58149200943
-
The Carbohydrate-Active EnZymes database (CAZy): An expert resource for Glycogenomics
-
Cantarel, B.L.; Coutinho, P.M.; Rancurel, C.; Bernard, T.; Lombard, V.; Henrissat, B. The Carbohydrate-Active EnZymes database (CAZy): An expert resource for Glycogenomics. Nucleic Acids Res. 2009, 37, D233-D238.
-
(2009)
Nucleic Acids Res.
, vol.37
, pp. D233-D238
-
-
Cantarel, B.L.1
Coutinho, P.M.2
Rancurel, C.3
Bernard, T.4
Lombard, V.5
Henrissat, B.6
-
24
-
-
84882804241
-
Structure and Function of Carbohydrate-Binding Module Families 13 and 42 of Glycoside Hydrolases, Comprising a β-Trefoil Fold
-
Fujimoto, Z. Structure and Function of Carbohydrate-Binding Module Families 13 and 42 of Glycoside Hydrolases, Comprising a β-Trefoil Fold. Biosci. Biotechnol. Biochem. 2013, 77, 1363-1371.
-
(2013)
Biosci. Biotechnol. Biochem.
, vol.77
, pp. 1363-1371
-
-
Fujimoto, Z.1
-
25
-
-
33646160614
-
GLYCOSCIENCES.de: An Internet portal to support glycomics and glycobiology research
-
Lutteke, T.; Bohne-Lang, A.; Loss, A.; Goetz, T.; Frank, M.; von der Lieth, C.W. GLYCOSCIENCES.de: An Internet portal to support glycomics and glycobiology research. Glycobiology 2006, 16, 71R-81R.
-
(2006)
Glycobiology
, vol.16
, pp. 71R-81R
-
-
Lutteke, T.1
Bohne-Lang, A.2
Loss, A.3
Goetz, T.4
Frank, M.5
Von Der Lieth, C.W.6
-
26
-
-
84924598676
-
Glyco3D: A Portal for Structural Glycoscience; 2013
-
Perez, S.; Sarkar, A.; Breton, C.; Drouillard, S.; Rivet, A.; Imberty, A. Glyco3D: A Portal for Structural Glycoscience; 2013. Methods Mol. Biol. 2015, 1273, 241-258.
-
(2015)
Methods Mol. Biol.
, vol.1273
, pp. 241-258
-
-
Perez, S.1
Sarkar, A.2
Breton, C.3
Drouillard, S.4
Rivet, A.5
Imberty, A.6
-
27
-
-
13444283836
-
Carbohydrate Structure Suite (CSS): Analysis of carbohydrate 3D structures derived from the PDB
-
Lutteke, T.; Frank, M.; von der Lieth, C. Carbohydrate Structure Suite (CSS): Analysis of carbohydrate 3D structures derived from the PDB. Nucleic Acids Res. 2005, 33, D242-D246.
-
(2005)
Nucleic Acids Res.
, vol.33
, pp. D242-D246
-
-
Lutteke, T.1
Frank, M.2
Von Der Lieth, C.3
-
28
-
-
84875995416
-
Glycan fragment database: A database of PDB-based glycan 3D structures
-
Jo, S.; Im, W. Glycan fragment database: A database of PDB-based glycan 3D structures. Nucleic Acids Res. 2013, 41, D470-D474.
-
(2013)
Nucleic Acids Res.
, vol.41
, pp. D470-D474
-
-
Jo, S.1
Im, W.2
-
29
-
-
84856342751
-
CarbBuilder: An Adjustable Tool for Building 3D Molecular Structures of Carbohydrates for Molecular Simulation
-
Kuttel, M.; Mao, Y.; Widmalm, G.; Lundborg, M. CarbBuilder: An Adjustable Tool for Building 3D Molecular Structures of Carbohydrates for Molecular Simulation. In Proceedings of the 2011 IEEE 7th International Conference on E-Science (e-Science), Stockholm, Sweden, 5-8 December 2011; pp. 395-402.
-
Proceedings of the 2011 IEEE 7th International Conference on E-Science (E-Science), Stockholm, Sweden, 5-8 December 2011
, pp. 395-402
-
-
Kuttel, M.1
Mao, Y.2
Widmalm, G.3
Lundborg, M.4
-
30
-
-
0022555847
-
Carbohydrate-Binding Proteins: Tertiary Structures and Protein-Sugar Interactions
-
Quiocho, F.A. Carbohydrate-Binding Proteins: Tertiary Structures and Protein-Sugar Interactions. Annu. Rev. Biochem. 1986, 55, 287-315.
-
(1986)
Annu. Rev. Biochem.
, vol.55
, pp. 287-315
-
-
Quiocho, F.A.1
-
32
-
-
0242363173
-
Energetics of hydrogen bonds in peptides
-
Sheu, S.Y.; Yang, D.Y.; Selzle, H.L.; Schlag, E.W. Energetics of hydrogen bonds in peptides. Proc. Natl. Acad. Sci. USA 2003, 100, 12683-12687.
-
(2003)
Proc. Natl. Acad. Sci. USA
, vol.100
, pp. 12683-12687
-
-
Sheu, S.Y.1
Yang, D.Y.2
Selzle, H.L.3
Schlag, E.W.4
-
33
-
-
84872025032
-
Carbohydrate-Aromatic Interactions
-
Asensio, J.L.; Arda, A.; Canada, F.J.; Jimenez-Barbero, J. Carbohydrate-Aromatic Interactions. Acc. Chem. Res. 2013, 46, 946-954.
-
(2013)
Acc. Chem. Res.
, vol.46
, pp. 946-954
-
-
Asensio, J.L.1
Arda, A.2
Canada, F.J.3
Jimenez-Barbero, J.4
-
34
-
-
55549090031
-
Carbohydrate-pi interactions: What are they worth?
-
Laughrey, Z.R.; Kiehna, S.E.; Riemen, A.J.; Waters, M.L. Carbohydrate-pi interactions: What are they worth? J. Am. Chem. Soc. 2008, 130, 14625-14633.
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 14625-14633
-
-
Laughrey, Z.R.1
Kiehna, S.E.2
Riemen, A.J.3
Waters, M.L.4
-
35
-
-
84929196554
-
Terminal sialic acids on CD44 N-glycans can block hyaluronan binding by forming competing intramolecular contacts with arginine side chains
-
Faller, C.E.; Guvench, O. Terminal sialic acids on CD44 N-glycans can block hyaluronan binding by forming competing intramolecular contacts with arginine side chains. Proteins Struct. Funct. Bioinform. 2014, 82, 3079-3089.
-
(2014)
Proteins Struct. Funct. Bioinform.
, vol.82
, pp. 3079-3089
-
-
Faller, C.E.1
Guvench, O.2
-
36
-
-
33750118157
-
Discovery of Siglec-14, a novel sialic acid receptor undergoing concerted evolution with Siglec-5 in primates
-
Angata, T.; Hayakawa, T.; Yamanaka, M.; Varki, A.; Nakamura, M. Discovery of Siglec-14, a novel sialic acid receptor undergoing concerted evolution with Siglec-5 in primates. FASEB J. 2006, 20, 1964-1973.
-
(2006)
FASEB J.
, vol.20
, pp. 1964-1973
-
-
Angata, T.1
Hayakawa, T.2
Yamanaka, M.3
Varki, A.4
Nakamura, M.5
-
37
-
-
34247565506
-
Glycan-based interactions involving vertebrate sialic-acid-recognizing proteins
-
Varki, A. Glycan-based interactions involving vertebrate sialic-acid-recognizing proteins. Nature 2007, 446, 1023-1029.
-
(2007)
Nature
, vol.446
, pp. 1023-1029
-
-
Varki, A.1
-
38
-
-
84922480109
-
The sweet spot: Defining virus-sialic acid interactions
-
Stencel-Baerenwald, J.E.; Reiss, K.; Reiter, D.M.; Stehle, T.; Dermody, T.S. The sweet spot: Defining virus-sialic acid interactions. Natl. Rev. Microbiol. 2014, 12, 739-749.
-
(2014)
Natl. Rev. Microbiol.
, vol.12
, pp. 739-749
-
-
Stencel-Baerenwald, J.E.1
Reiss, K.2
Reiter, D.M.3
Stehle, T.4
Dermody, T.S.5
-
39
-
-
0029931973
-
Characterization of the Sialic Acid-binding Site in Sialoadhesin by Site-directed Mutagenesis
-
Vinson, M.; van der Merwe, P.A.; Kelm, S.; May, A.; Jones, E.Y.; Crocker, P.R. Characterization of the Sialic Acid-binding Site in Sialoadhesin by Site-directed Mutagenesis. J. Biol. Chem. 1996, 271, 9267-9272.
-
(1996)
J. Biol. Chem.
, vol.271
, pp. 9267-9272
-
-
Vinson, M.1
Van Der Merwe, P.A.2
Kelm, S.3
May, A.4
Jones, E.Y.5
Crocker, P.R.6
-
40
-
-
3142576945
-
Ab Initio Structure Determination and Functional Characterization Of CBM36: A New Family of Calcium-Dependent Carbohydrate Binding Modules
-
Jamal-Talabani, S.; Boraston, A.B.; Turkenburg, J.P.; Tarbouriech, N.; Ducros, V.M.A.; Davies, G.J. Ab Initio Structure Determination and Functional Characterization Of CBM36: A New Family of Calcium-Dependent Carbohydrate Binding Modules. Structure 2004, 12, 1177-1187.
-
(2004)
Structure
, vol.12
, pp. 1177-1187
-
-
Jamal-Talabani, S.1
Boraston, A.B.2
Turkenburg, J.P.3
Tarbouriech, N.4
Ducros, V.M.A.5
Davies, G.J.6
-
41
-
-
0035281357
-
Computer Simulation of Protein-Protein Interactions
-
Elcock, A.H.; Sept, D.; McCammon, J.A. Computer Simulation of Protein-Protein Interactions. J. Phys. Chem. B 2001, 105, 1504-1518.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 1504-1518
-
-
Elcock, A.H.1
Sept, D.2
McCammon, J.A.3
-
42
-
-
0037457955
-
The binding specificity and affinity determinants of family 1 and family 3 cellulose binding modules
-
Lehtio, J.; Sugiyama, J.; Gustavsson, M.; Fransson, L.; Linder, M.; Teeri, T.T. The binding specificity and affinity determinants of family 1 and family 3 cellulose binding modules. Proc. Natl. Acad. Sci. USA 2003, 100, 484-489.
-
(2003)
Proc. Natl. Acad. Sci. USA
, vol.100
, pp. 484-489
-
-
Lehtio, J.1
Sugiyama, J.2
Gustavsson, M.3
Fransson, L.4
Linder, M.5
Teeri, T.T.6
-
43
-
-
76249113333
-
Identification of Amino Acids Responsible for Processivity in a Family 1 Carbohydrate-Binding Module from a Fungal Cellulase
-
Beckham, G.T.; Matthews, J.F.; Bomble, Y.J.; Bu, L.; Adney, W.S.; Himmel, M.E.; Nimlos, M.R.; Crowley, M.F. Identification of Amino Acids Responsible for Processivity in a Family 1 Carbohydrate-Binding Module from a Fungal Cellulase. J. Phys. Chem. B 2010, 114, 1447-1453.
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 1447-1453
-
-
Beckham, G.T.1
Matthews, J.F.2
Bomble, Y.J.3
Bu, L.4
Adney, W.S.5
Himmel, M.E.6
Nimlos, M.R.7
Crowley, M.F.8
-
44
-
-
84862004181
-
Binding Preferences, Surface Attachment, Diffusivity, and Orientation of a Family 1 Carbohydrate-binding Module on Cellulose
-
Nimlos, M.R.; Beckham, G.T.; Matthews, J.F.; Bu, L.; Himmel, M.E.; Crowley, M.F. Binding Preferences, Surface Attachment, Diffusivity, and Orientation of a Family 1 Carbohydrate-binding Module on Cellulose. J. Biol. Chem. 2012, 287, 20603-20612.
-
(2012)
J. Biol. Chem.
, vol.287
, pp. 20603-20612
-
-
Nimlos, M.R.1
Beckham, G.T.2
Matthews, J.F.3
Bu, L.4
Himmel, M.E.5
Crowley, M.F.6
-
45
-
-
0025048105
-
Molecular-dynamics simulations in biology
-
Karplus, M.; Petsko, G.A. Molecular-dynamics simulations in biology. Nature 1990, 347, 631-639.
-
(1990)
Nature
, vol.347
, pp. 631-639
-
-
Karplus, M.1
Petsko, G.A.2
-
46
-
-
85040725932
-
Biomolecular Structure and Dynamics with Neutrons: The View from Simulation
-
Hong, L.; Petridis, L.; Smith, J.C. Biomolecular Structure and Dynamics with Neutrons: The View from Simulation. Isr. J. Chem. 2014, 54, 1264-1273.
-
(2014)
Isr. J. Chem.
, vol.54
, pp. 1264-1273
-
-
Hong, L.1
Petridis, L.2
Smith, J.C.3
-
48
-
-
0003573487
-
-
Prentice Hall: Upper Saddle River, NJ, USA
-
Tinoco, I.; Sauer, K.; Wang, J.C.; Puglisi, J.D.; Harbison, G.; Rovnyak, D. Physical Chemistry: Principles and Applications in Biological Sciences; Prentice Hall: Upper Saddle River, NJ, USA, 2013.
-
(2013)
Physical Chemistry: Principles and Applications in Biological Sciences
-
-
Tinoco, I.1
Sauer, K.2
Wang, J.C.3
Puglisi, J.D.4
Harbison, G.5
Rovnyak, D.6
-
49
-
-
80055081145
-
How Fast-Folding Proteins Fold
-
Lindorff-Larsen, K.; Piana, S.; Dror, R.O.; Shaw, D.E. How Fast-Folding Proteins Fold. Science 2011, 334, 517-520.
-
(2011)
Science
, vol.334
, pp. 517-520
-
-
Lindorff-Larsen, K.1
Piana, S.2
Dror, R.O.3
Shaw, D.E.4
-
50
-
-
84902689475
-
Carbohydrate-Protein Interactions That Drive Processive Polysaccharide Translocation in Enzymes Revealed from a Computational Study of Cellobiohydrolase Processivity
-
Knott, B.; Crowley, M.; Himmel, M.; Stahlberg, J.; Beckham, G. Carbohydrate-Protein Interactions That Drive Processive Polysaccharide Translocation in Enzymes Revealed from a Computational Study of Cellobiohydrolase Processivity. J. Am. Chem. Soc. 2014, 136, 8810-8819.
-
(2014)
J. Am. Chem. Soc.
, vol.136
, pp. 8810-8819
-
-
Knott, B.1
Crowley, M.2
Himmel, M.3
Stahlberg, J.4
Beckham, G.5
-
51
-
-
84929145843
-
Enhanced Conformational Sampling of Carbohydrates using Biasing Potential and Solute Tempering Replica Exchange: Application to the N-glycan on the HIV gp120 Envelope Protein
-
Yang, M.; Huang, J.; MacKerell, A. Enhanced Conformational Sampling of Carbohydrates using Biasing Potential and Solute Tempering Replica Exchange: Application to the N-glycan on the HIV gp120 Envelope Protein. Biophys. J. 2015, 108, 157a.
-
(2015)
Biophys. J.
, vol.108
, pp. 157a
-
-
Yang, M.1
Huang, J.2
MacKerell, A.3
-
53
-
-
0017776823
-
Dynamics of folded proteins
-
McCammon, J.A.; Gelin, B.R.; Karplus, M. Dynamics of folded proteins. Nature 1977, 267, 585-590.
-
(1977)
Nature
, vol.267
, pp. 585-590
-
-
McCammon, J.A.1
Gelin, B.R.2
Karplus, M.3
-
54
-
-
4444351490
-
Empirical force fields for biological macromolecules: Overview and issues
-
Mackerell, A.D. Empirical force fields for biological macromolecules: Overview and issues. J. Comput. Chem. 2004, 25, 1584-1604.
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1584-1604
-
-
Mackerell, A.D.1
-
55
-
-
55349124614
-
Additive Empirical Force Field for Hexopyranose Monosaccharides
-
Guvench, O.; Greene, S.N.; Kamath, G.; Brady, J.W.; Venable, R.M.; Pastor, R.W.; Mackerell, A.D., Jr. Additive Empirical Force Field for Hexopyranose Monosaccharides. J. Comput. Chem. 2008, 29, 2543-2564.
-
(2008)
J. Comput. Chem.
, vol.29
, pp. 2543-2564
-
-
Guvench, O.1
Greene, S.N.2
Kamath, G.3
Brady, J.W.4
Venable, R.M.5
Pastor, R.W.6
Mackerell, A.D.7
-
56
-
-
73349137333
-
CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses
-
Guvench, O.; Hatcher, E.; Venable, R.M.; Pastor, R.W.; Mackerell, A.D., Jr. CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses. J. Chem. Theory Comput. 2009, 5, 2353-2370.
-
(2009)
J. Chem. Theory Comput.
, vol.5
, pp. 2353-2370
-
-
Guvench, O.1
Hatcher, E.2
Venable, R.M.3
Pastor, R.W.4
Mackerell, A.D.5
-
57
-
-
80053944070
-
CHARMM Additive All-Atom Force Field for Carbohydrate Derivatives and Its Utility in Polysaccharide and Carbohydrate-Protein Modeling
-
Guvench, O.; Mallajosyula, S.S.; Raman, E.P.; Hatcher, E.; Vanommeslaeghe, K.; Foster, T.J.; Jamison, F.W.; MacKerell, A.D. CHARMM Additive All-Atom Force Field for Carbohydrate Derivatives and Its Utility in Polysaccharide and Carbohydrate-Protein Modeling. J. Chem. Theory Comput. 2011, 7, 3162-3180.
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 3162-3180
-
-
Guvench, O.1
Mallajosyula, S.S.2
Raman, E.P.3
Hatcher, E.4
Vanommeslaeghe, K.5
Foster, T.J.6
Jamison, F.W.7
MacKerell, A.D.8
-
58
-
-
84869034542
-
Glycam-Based Force Field for Simulations of Lipopolysaccharide Membranes: Parametrization and Validation
-
Kirschner, K.N.; Lins, R.D.; Maass, A.; Soares, T.A. A Glycam-Based Force Field for Simulations of Lipopolysaccharide Membranes: Parametrization and Validation. J. Chem. Theory Comput. 2012, 8, 4719-4731.
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 4719-4731
-
-
Kirschner, K.N.1
Lins, R.D.2
Maass, A.3
Soares, T.A.A.4
-
59
-
-
0008819754
-
The GROMOS Biomolecular Simulation Program Package
-
Scott, W.R.P.; Hunenberger, P.H.; Tironi, I.G.; Mark, A.E.; Billeter, S.R.; Fennen, J.; Torda, A.E.; Huber, T.; Kruger, P.; van Gunsteren, W.F. The GROMOS Biomolecular Simulation Program Package. J. Phys. Chem. A 1999, 103, 3596-3607.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 3596-3607
-
-
Scott, W.R.P.1
Hunenberger, P.H.2
Tironi, I.G.3
Mark, A.E.4
Billeter, S.R.5
Fennen, J.6
Torda, A.E.7
Huber, T.8
Kruger, P.9
Van Gunsteren, W.F.10
-
60
-
-
0029912748
-
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
-
Jorgensen, W.L.; Maxwell, D.S.; Tirado-Rives, J. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids. J. Am. Chem. Soc. 1996, 118, 11225-11236.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 11225-11236
-
-
Jorgensen, W.L.1
Maxwell, D.S.2
Tirado-Rives, J.3
-
61
-
-
84911898749
-
Force fields and scoring functions for carbohydrate simulation
-
Xiong, X.; Chen, Z.; Cossins, B.; Shi, J. Force fields and scoring functions for carbohydrate simulation. Carbohydr. Res. 2015, 401, 73-81.
-
(2015)
Carbohydr. Res.
, vol.401
, pp. 73-81
-
-
Xiong, X.1
Chen, Z.2
Cossins, B.3
Shi, J.4
-
62
-
-
84862525629
-
Carbohydrate force fields
-
Foley, B.L.; Tessier, M.B.; Woods, R.J. Carbohydrate force fields. WIRES Comput. Mol. Sci. 2012, 2, 652-697.
-
(2012)
WIRES Comput. Mol. Sci.
, vol.2
, pp. 652-697
-
-
Foley, B.L.1
Tessier, M.B.2
Woods, R.J.3
-
63
-
-
73949130043
-
Martini Coarse-Grained Force Field: Extension to Carbohydrates
-
Lopez, C.A.; Rzepiela, A.J.; de Vries, A.H.; Dijkhuizen, L.; Hunenberger, P.H.; Marrink, S.J. Martini Coarse-Grained Force Field: Extension to Carbohydrates. J. Chem. Theory Comput. 2009, 5, 3195-3210.
-
(2009)
J. Chem. Theory Comput.
, vol.5
, pp. 3195-3210
-
-
Lopez, C.A.1
Rzepiela, A.J.2
De Vries, A.H.3
Dijkhuizen, L.4
Hunenberger, P.H.5
Marrink, S.J.6
-
64
-
-
84921320959
-
MARTINI Coarse-Grained Model for Crystalline Cellulose Microfibers
-
Lopez, C.A.; Bellesia, G.; Redondo, A.; Langan, P.; Chundawat, S.P.S.; Dale, B.E.; Marrink, S.J.; Gnanakaran, S. MARTINI Coarse-Grained Model for Crystalline Cellulose Microfibers. J. Phys. Chem. B 2015, 119, 465-473.
-
(2015)
J. Phys. Chem. B
, vol.119
, pp. 465-473
-
-
Lopez, C.A.1
Bellesia, G.2
Redondo, A.3
Langan, P.4
Chundawat, S.P.S.5
Dale, B.E.6
Marrink, S.J.7
Gnanakaran, S.8
-
65
-
-
84890373247
-
Enhanced conformational sampling of carbohydrates by Hamiltonian replica-exchange simulation
-
Mishra, S.K.; Kara, M.; Zacharias, M.; Koca, J. Enhanced conformational sampling of carbohydrates by Hamiltonian replica-exchange simulation. Glycobiology 2014, 24, 70-84.
-
(2014)
Glycobiology
, vol.24
, pp. 70-84
-
-
Mishra, S.K.1
Kara, M.2
Zacharias, M.3
Koca, J.4
-
66
-
-
70350044640
-
Conformational Flexibility of Soluble Cellulose Oligomers: Chain Length and Temperature Dependence
-
Shen, T.; Langan, P.; French, A.; Johnson, G.P.; Gnanakaran, S. Conformational Flexibility of Soluble Cellulose Oligomers: Chain Length and Temperature Dependence. J. Am. Chem. Soc. 2009, 131, 14786-14794.
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 14786-14794
-
-
Shen, T.1
Langan, P.2
French, A.3
Johnson, G.P.4
Gnanakaran, S.5
-
67
-
-
66749083288
-
CHARMM Additive All-Atom Force Field for Acyclic Polyalcohols, Acyclic Carbohydrates, and Inositol
-
Hatcher, E.R.; Guvench, O.; MacKerell, A.D. CHARMM Additive All-Atom Force Field for Acyclic Polyalcohols, Acyclic Carbohydrates, and Inositol. J. Chem. Theory Comput. 2009, 5, 1315-1327.
-
(2009)
J. Chem. Theory Comput.
, vol.5
, pp. 1315-1327
-
-
Hatcher, E.R.1
Guvench, O.2
MacKerell, A.D.3
-
68
-
-
84894268675
-
Importance of ligand conformational energies in carbohydrate docking: Sorting the wheat from the chaff
-
Nivedha, A.K.; Makeneni, S.; Foley, B.L.; Tessier, M.B.; Woods, R.J. Importance of ligand conformational energies in carbohydrate docking: Sorting the wheat from the chaff. J. Comput. Chem. 2014, 35, 526-539.
-
(2014)
J. Comput. Chem.
, vol.35
, pp. 526-539
-
-
Nivedha, A.K.1
Makeneni, S.2
Foley, B.L.3
Tessier, M.B.4
Woods, R.J.5
-
69
-
-
0001067597
-
Force field design for metalloproteins
-
Hoops, S.C.; Anderson, K.W.; Merz, K.M. Force field design for metalloproteins. J. Am. Chem. Soc. 1991, 113, 8262-8270.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 8262-8270
-
-
Hoops, S.C.1
Anderson, K.W.2
Merz, K.M.3
-
70
-
-
0034662896
-
Cooperativity and hydrogen bonding network in water clusters
-
Xantheas, S. Cooperativity and hydrogen bonding network in water clusters. Chem. Phys. 2000, 258, 225-231.
-
(2000)
Chem. Phys.
, vol.258
, pp. 225-231
-
-
Xantheas, S.1
-
71
-
-
84923207806
-
CHARMM additive and polarizable force fields for biophysics and computer-aided drug design
-
Vanommeslaeghe, K.; MacKerell, A.D., Jr. CHARMM additive and polarizable force fields for biophysics and computer-aided drug design. Biochim. Biophys. Acta 2015, 1850, 861-871.
-
(2015)
Biochim. Biophys. Acta
, vol.1850
, pp. 861-871
-
-
Vanommeslaeghe, K.1
MacKerell, A.D.2
-
72
-
-
0041878923
-
Modeling induced polarization with classical Drude oscillators: Theory and molecular dynamics simulation algorithm
-
Lamoureux, G.; Roux, B. Modeling induced polarization with classical Drude oscillators: Theory and molecular dynamics simulation algorithm. J. Chem. Phys. 2003, 119, 3025-3039.
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 3025-3039
-
-
Lamoureux, G.1
Roux, B.2
-
73
-
-
84902971502
-
Polarizable Empirical Force Field for Hexopyranose Monosaccharides Based on the Classical Drude Oscillator
-
Patel, D.; He, X.; MacKerell, A.J. Polarizable Empirical Force Field for Hexopyranose Monosaccharides Based on the Classical Drude Oscillator. J. Phys. Chem. B 2015, 119, 637-652.
-
(2015)
J. Phys. Chem. B
, vol.119
, pp. 637-652
-
-
Patel, D.1
He, X.2
MacKerell, A.J.3
-
74
-
-
70349391464
-
-
AMBER 10 University of California: San Francisco, CA, USA
-
Case, D.A.; Darden, T.A.; Cheatham, T.E., III; Simmerling, C.L.; Wang, J.; Duke, R.E.; Luo, R.; Crowly, M.; Walker, R.C.; Zhang, W.; et al. AMBER Molecular Dymnamics Package; AMBER 10 University of California: San Francisco, CA, USA, 2008.
-
(2008)
AMBER Molecular Dymnamics Package
-
-
Case, D.A.1
Darden, T.A.2
Cheatham, T.E.3
Simmerling, C.L.4
Wang, J.5
Duke, R.E.6
Luo, R.7
Crowly, M.8
Walker, R.C.9
Zhang, W.10
-
75
-
-
67650500988
-
CHARMM: The Biomolecular Simulation Program
-
Brooks, B.R.; Brooks, C.L., III; Mackerell, A.D., Jr.; Nilsson, L.; Petrella, R.J.; Roux, B.; Won, Y.; Archontis, G.; Bartels, C.; Boresch, S.; et al. CHARMM: The Biomolecular Simulation Program. J. Comput. Chem. 2009, 30, 1545-1614.
-
(2009)
J. Comput. Chem.
, vol.30
, pp. 1545-1614
-
-
Brooks, B.R.1
Brooks, C.L.2
Mackerell, A.D.3
Nilsson, L.4
Petrella, R.J.5
Roux, B.6
Won, Y.7
Archontis, G.8
Bartels, C.9
Boresch, S.10
-
76
-
-
84897604287
-
Effects of Branched O-Glycosylation on a Semiflexible Peptide Linker
-
Johnson, Q.R.; Lindsay, R.J.; Raval, S.R.; Dobbs, J.S.; Nellas, R.B.; Shen, T. Effects of Branched O-Glycosylation on a Semiflexible Peptide Linker. J. Phys. Chem. B 2014, 118, 2050-2057.
-
(2014)
J. Phys. Chem. B
, vol.118
, pp. 2050-2057
-
-
Johnson, Q.R.1
Lindsay, R.J.2
Raval, S.R.3
Dobbs, J.S.4
Nellas, R.B.5
Shen, T.6
-
77
-
-
67650456229
-
Computational Studies of Human Galectin-1: Role of Conserved Tryptophan Residue in Stacking Interaction with Carbohydrate Ligands
-
Meynier, C.; Guerlesquin, F.; Roche, P. Computational Studies of Human Galectin-1: Role of Conserved Tryptophan Residue in Stacking Interaction with Carbohydrate Ligands. J. Biomol. Struct. Dyn. 2009, 27, 49-57.
-
(2009)
J. Biomol. Struct. Dyn.
, vol.27
, pp. 49-57
-
-
Meynier, C.1
Guerlesquin, F.2
Roche, P.3
-
78
-
-
0141704154
-
Molecular dynamics simulations of galectin-1-oligosaccharide complexes reveal the molecular basis for ligand diversity
-
Ford, M.G.; Weimar, T.; Kohli, T.; Woods, R.J. Molecular dynamics simulations of galectin-1-oligosaccharide complexes reveal the molecular basis for ligand diversity. Proteins Struct. Funct. Bioinf. 2003, 53, 229-240.
-
(2003)
Proteins Struct. Funct. Bioinf.
, vol.53
, pp. 229-240
-
-
Ford, M.G.1
Weimar, T.2
Kohli, T.3
Woods, R.J.4
-
79
-
-
0027415123
-
Structure and dynamics of mucin-like glycopeptides. Examination of peptide chain expansion and peptide-carbohydrate interactions by stochastic dynamics simulations
-
Butenhof, K.J.; Gerken, T.A. Structure and dynamics of mucin-like glycopeptides. Examination of peptide chain expansion and peptide-carbohydrate interactions by stochastic dynamics simulations. Biochemistry 1993, 32, 2650-2663.
-
(1993)
Biochemistry
, vol.32
, pp. 2650-2663
-
-
Butenhof, K.J.1
Gerken, T.A.2
-
80
-
-
0034995268
-
Effect of glycosylation on structure and dynamics of MHC class I glycoprotein: A molecular dynamics study
-
Mandal, T.K.; Mukhopadhyay, C. Effect of glycosylation on structure and dynamics of MHC class I glycoprotein: A molecular dynamics study. Biopolymers 2001, 59, 11-23.
-
(2001)
Biopolymers
, vol.59
, pp. 11-23
-
-
Mandal, T.K.1
Mukhopadhyay, C.2
-
81
-
-
81255168710
-
Molecular dynamics simulations of a branched tetradecasaccharide substrate in the active site of a xyloglucan endo-transglycosylase
-
Mark, P.; Zhang, Q.; Czjzek, M.; Brumer, H.; Agren, H. Molecular dynamics simulations of a branched tetradecasaccharide substrate in the active site of a xyloglucan endo-transglycosylase. Mol. Simul. 2011, 37, 1001-1013.
-
(2011)
Mol. Simul.
, vol.37
, pp. 1001-1013
-
-
Mark, P.1
Zhang, Q.2
Czjzek, M.3
Brumer, H.4
Agren, H.5
-
82
-
-
84883623049
-
CD44 Receptor Unfolding Enhances Binding by Freeing Basic Amino Acids to Contact Carbohydrate Ligand
-
Favreau, A.; Faller, C.E.; Guvench, O. CD44 Receptor Unfolding Enhances Binding by Freeing Basic Amino Acids to Contact Carbohydrate Ligand. Biophys. J. 2013, 105, 1217-1226.
-
(2013)
Biophys. J.
, vol.105
, pp. 1217-1226
-
-
Favreau, A.1
Faller, C.E.2
Guvench, O.3
-
83
-
-
84883459399
-
The 'order-to-disorder' conformational transition in CD44 protein: An umbrella sampling analysis
-
Plazinski, W.; Knys-Dzieciuch, A. The 'order-to-disorder' conformational transition in CD44 protein: An umbrella sampling analysis. J. Mol. Graph. Model. 2013, 45, 122-127.
-
(2013)
J. Mol. Graph. Model.
, vol.45
, pp. 122-127
-
-
Plazinski, W.1
Knys-Dzieciuch, A.2
-
84
-
-
79951670265
-
Mechanism of Binding Site Conformational Switching in the CD44-Hyaluronan Protein-Carbohydrate Binding Interaction
-
Jamison, F.W. II; Foster, T.J.; Barker, J.A.; Hills, R.D., Jr.; Guvench, O. Mechanism of Binding Site Conformational Switching in the CD44-Hyaluronan Protein-Carbohydrate Binding Interaction. J. Mol. Biol. 2011, 406, 631-647.
-
(2011)
J. Mol. Biol.
, vol.406
, pp. 631-647
-
-
Jamison, F.W.1
Foster, T.J.2
Barker, J.A.3
Hills, R.D.4
Guvench, O.5
-
85
-
-
5644287368
-
Free Energy, Entropy, and Induced Fit in Host-Guest Recognition: Calculations with the Second-Generation Mining Minima Algorithm
-
Chang, C.E.; Gilson, M.K. Free Energy, Entropy, and Induced Fit in Host-Guest Recognition: Calculations with the Second-Generation Mining Minima Algorithm. J. Am. Chem. Soc. 2004, 126, 13156-13164.
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 13156-13164
-
-
Chang, C.E.1
Gilson, M.K.2
-
86
-
-
84861842709
-
Conformational flexibility of a protein-carbohydrate complex and the structure and ordering of surrounding water
-
Jana, M.; Bandyopadhyay, S. Conformational flexibility of a protein-carbohydrate complex and the structure and ordering of surrounding water. Phys. Chem. Chem. Phys. 2012, 14, 6628-6638.
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 6628-6638
-
-
Jana, M.1
Bandyopadhyay, S.2
-
87
-
-
0034521981
-
Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models
-
Kollman, P.A.; Massova, I.; Reyes, C.; Kuhn, B.; Huo, S.; Chong, L.; Lee, M.; Lee, T.; Duan, Y.; Wang, W.; et al. Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models. Acc. Chem. Res. 2000, 33, 889-897.
-
(2000)
Acc. Chem. Res.
, vol.33
, pp. 889-897
-
-
Kollman, P.A.1
Massova, I.2
Reyes, C.3
Kuhn, B.4
Huo, S.5
Chong, L.6
Lee, M.7
Lee, T.8
Duan, Y.9
Wang, W.10
-
88
-
-
4043171970
-
The GB/SA continuum model for solvation. A fast analytical method for the calculation of approximate Born radii
-
Qiu, D.; Shenkin, P.S.; Hollinger, F.P.; Still, W.C. The GB/SA continuum model for solvation. A fast analytical method for the calculation of approximate Born radii. J. Phys. Chem. A 1997, 101, 3005-3014.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 3005-3014
-
-
Qiu, D.1
Shenkin, P.S.2
Hollinger, F.P.3
Still, W.C.4
-
89
-
-
0042139644
-
Accelerated Poisson-Boltzmann calculations for static and dynamic systems
-
David, L.; Luo, R.; Gilson, M. Accelerated Poisson-Boltzmann calculations for static and dynamic systems. J. Comput. Chem. 2000, 21, 295-309.
-
(2000)
J. Comput. Chem.
, vol.21
, pp. 295-309
-
-
David, L.1
Luo, R.2
Gilson, M.3
-
90
-
-
0141995467
-
Brownian dynamics simulation of helix-capping motif
-
Shen, T.; Wong, C.F.; McCammon, J.A. Brownian dynamics simulation of helix-capping motif. Biopolymers 2003, 70, 252-259.
-
(2003)
Biopolymers
, vol.70
, pp. 252-259
-
-
Shen, T.1
Wong, C.F.2
McCammon, J.A.3
-
91
-
-
0031058541
-
The statistical-thermodynamic basis for computation of binding affinities: A critical review
-
Gilson, M.K.; Given, J.A.; Bush, B.L.; McCammon, J.A. The statistical-thermodynamic basis for computation of binding affinities: A critical review. Biophys. J. 1997, 72, 1047-1069.
-
(1997)
Biophys. J.
, vol.72
, pp. 1047-1069
-
-
Gilson, M.K.1
Given, J.A.2
Bush, B.L.3
McCammon, J.A.4
-
92
-
-
2942659093
-
Standard Free Energy of Releasing a Localized Water Molecule from the Binding Pockets of Proteins: Double-Decoupling Method
-
Hamelberg, D.; McCammon, A. Standard Free Energy of Releasing a Localized Water Molecule from the Binding Pockets of Proteins: Double-Decoupling Method. J. Am. Chem. Soc. 2004, 126, 7683-7689.
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 7683-7689
-
-
Hamelberg, D.1
McCammon, A.2
-
93
-
-
0000566767
-
Ligand binding: New theoretical approaches to molecular recognition
-
Adenine Press: New York, NY, USA
-
McCammon, J.A.; Lybrand, T.P.; Allison, S.A.; Northrup, S.H. Ligand binding: New theoretical approaches to molecular recognition. In Biomolecular Stereodynamics; Adenine Press: New York, NY, USA, 1986; Volume 3.
-
(1986)
Biomolecular Stereodynamics
, vol.3
-
-
McCammon, J.A.1
Lybrand, T.P.2
Allison, S.A.3
Northrup, S.H.4
-
94
-
-
84922104565
-
Binding energy calculations for hevein-carbohydrate interactions using
-
Koppisetty, C.; Frank, M.; Lyubartsev, A.; Nyholm, P. Binding energy calculations for hevein-carbohydrate interactions using. J. Comput. Aided Mol. Des. 2015, 29, 13-21.
-
(2015)
J. Comput. Aided Mol. Des.
, vol.29
, pp. 13-21
-
-
Koppisetty, C.1
Frank, M.2
Lyubartsev, A.3
Nyholm, P.4
-
95
-
-
0034859343
-
Carbohydrate-Protein Recognition: Molecular Dynamics Simulations and Free Energy Analysis of Oligosaccharide Binding to Concanavalin A
-
Bryce, R.; Hillier, I.; Naismith, J. Carbohydrate-Protein Recognition: Molecular Dynamics Simulations and Free Energy Analysis of Oligosaccharide Binding to Concanavalin A. Biophys. J. 2001, 81, 1373-1388.
-
(2001)
Biophys. J.
, vol.81
, pp. 1373-1388
-
-
Bryce, R.1
Hillier, I.2
Naismith, J.3
-
96
-
-
0001061173
-
Free Energy Simulation Studies of the Binding Specificity of Mannose-Binding Protein
-
Liang, G.; Schmidt, R.; Yu, H.; Cumming, D.; Brady, J. Free Energy Simulation Studies of the Binding Specificity of Mannose-Binding Protein. J. Phys. Chem. 1996, 100, 2528-2534.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 2528-2534
-
-
Liang, G.1
Schmidt, R.2
Yu, H.3
Cumming, D.4
Brady, J.5
-
97
-
-
0346996361
-
Investigation of Neuraminidase-Substrate Recognition Using Molecular Dynamics and Free Energy Calculations
-
Masukawa, K.; Kollman, P.; Kuntz, I. Investigation of Neuraminidase-Substrate Recognition Using Molecular Dynamics and Free Energy Calculations. J. Med. Chem. 2003, 46, 5628-5637.
-
(2003)
J. Med. Chem.
, vol.46
, pp. 5628-5637
-
-
Masukawa, K.1
Kollman, P.2
Kuntz, I.3
-
98
-
-
0000450916
-
The Oxygen Equilibrium of Hemoglobin and Its Structural Interpretation
-
Pauling, L. The Oxygen Equilibrium of Hemoglobin and Its Structural Interpretation. Proc. Natl. Acad. Sci. USA 1935, 21, 186-191.
-
(1935)
Proc. Natl. Acad. Sci. USA
, vol.21
, pp. 186-191
-
-
Pauling, L.1
-
100
-
-
20344370764
-
Allosteric Mechanisms of Signal Transduction
-
Changeux, J.P.; Edelstein, S.J. Allosteric Mechanisms of Signal Transduction. Science 2005, 308, 1424-1428.
-
(2005)
Science
, vol.308
, pp. 1424-1428
-
-
Changeux, J.P.1
Edelstein, S.J.2
-
101
-
-
48249141040
-
Allostery and cooperativity revisited
-
Cui, Q.; Karplus, M. Allostery and cooperativity revisited. Protein Sci. 2008, 17, 1295-1307.
-
(2008)
Protein Sci.
, vol.17
, pp. 1295-1307
-
-
Cui, Q.1
Karplus, M.2
-
102
-
-
0026474760
-
Energetics of lectin-carbohydrate binding. A microcalorimetric investigation of concanavalin A-oligomannoside complexation
-
Williams, B.A.; Chervenak, M.C.; Toone, E.J. Energetics of lectin-carbohydrate binding. A microcalorimetric investigation of concanavalin A-oligomannoside complexation. J. Biol. Chem. 1992, 267, 22907-22911.
-
(1992)
J. Biol. Chem.
, vol.267
, pp. 22907-22911
-
-
Williams, B.A.1
Chervenak, M.C.2
Toone, E.J.3
-
103
-
-
33748363077
-
Dynamically driven protein allostery
-
Popovych, N.; Sun, S.; Ebright, R.H.; Kalodimos, C.G. Dynamically driven protein allostery. Nat. Struct. Mol. Biol. 2006, 13, 831-838.
-
(2006)
Nat. Struct. Mol. Biol.
, vol.13
, pp. 831-838
-
-
Popovych, N.1
Sun, S.2
Ebright, R.H.3
Kalodimos, C.G.4
-
104
-
-
0018078474
-
Binding of galactose and lactose to ricin
-
Zentz, C.; Frenoy, J.P.; Bourrillon, R. Binding of galactose and lactose to ricin. Biochem. Biophys. Acta 1978, 536, 18-26.
-
(1978)
Biochem. Biophys. Acta
, vol.536
, pp. 18-26
-
-
Zentz, C.1
Frenoy, J.P.2
Bourrillon, R.3
-
105
-
-
0016207054
-
Isolation of the Receptors for Wheat Germ Agglutinin and the Ricinus communis Lectins from Human Erythrocytes Using Affinity Chromatography
-
Adair, W.L.; Kornfeld, S. Isolation of the Receptors for Wheat Germ Agglutinin and the Ricinus communis Lectins from Human Erythrocytes Using Affinity Chromatography. J. Biol. Chem. 1974, 249, 4696-4704.
-
(1974)
J. Biol. Chem.
, vol.249
, pp. 4696-4704
-
-
Adair, W.L.1
Kornfeld, S.2
-
106
-
-
79955799340
-
Stability and Sugar Recognition Ability of Ricin-like Carbohydrate Binding Domains
-
Yao, J.; Nellas, R.B.; Glover, M.M.; Shen, T. Stability and Sugar Recognition Ability of Ricin-like Carbohydrate Binding Domains. Biochemistry 2011, 50, 4097-4104.
-
(2011)
Biochemistry
, vol.50
, pp. 4097-4104
-
-
Yao, J.1
Nellas, R.B.2
Glover, M.M.3
Shen, T.4
-
107
-
-
84923369265
-
Mapping Allostery through Computational Glycine Scanning and Correlation Analysis of Residue-Residue Contacts
-
Johnson, Q.R.; Lindsay, R.J.; Nellas, R.B.; Fernandez, E.J.; Shen, T. Mapping Allostery through Computational Glycine Scanning and Correlation Analysis of Residue-Residue Contacts. Biochemistry 2015, 54, 1534-1541.
-
(2015)
Biochemistry
, vol.54
, pp. 1534-1541
-
-
Johnson, Q.R.1
Lindsay, R.J.2
Nellas, R.B.3
Fernandez, E.J.4
Shen, T.5
|