-
1
-
-
36249028919
-
Biomaterials: protein-surface interactions
-
Informa Healthcare, New York, NY
-
Latour R.A. Biomaterials: protein-surface interactions. The Encyclopedia of Biomaterials and Bioengineering 2008, vol. 1:270-284. Informa Healthcare, New York, NY. 2nd ed.
-
(2008)
The Encyclopedia of Biomaterials and Bioengineering
, vol.1
, pp. 270-284
-
-
Latour, R.A.1
-
2
-
-
0037051019
-
Biomedical surface science: foundations to frontiers
-
Castner D.G., Ratner B.D. Biomedical surface science: foundations to frontiers. Surf. Sci. 2002, 500:28-60.
-
(2002)
Surf. Sci.
, vol.500
, pp. 28-60
-
-
Castner, D.G.1
Ratner, B.D.2
-
3
-
-
0030026989
-
Protein adsorption on solid surfaces
-
Hlady V., Buijs J. Protein adsorption on solid surfaces. Curr. Opin. Biotechnol. 1996, 7:72-77.
-
(1996)
Curr. Opin. Biotechnol.
, vol.7
, pp. 72-77
-
-
Hlady, V.1
Buijs, J.2
-
4
-
-
0037024107
-
Platelet adhesion to polystyrene-based surfaces preadsorbed with plasmas selectively depleted in fibrinogen, fibronectin, vitronectin, or von Willebrand's factor
-
Tsai W.B., Grunkemeier J.M., McFarland C.D., Horbett T.A. Platelet adhesion to polystyrene-based surfaces preadsorbed with plasmas selectively depleted in fibrinogen, fibronectin, vitronectin, or von Willebrand's factor. J. Biomed. Mater. Res. 2002, 60:348-359.
-
(2002)
J. Biomed. Mater. Res.
, vol.60
, pp. 348-359
-
-
Tsai, W.B.1
Grunkemeier, J.M.2
McFarland, C.D.3
Horbett, T.A.4
-
5
-
-
84855454448
-
Protein-resistant and fibrinolytic polyurethane surfaces
-
Wu Z.Q., Chen H., Liu X.L., Brash J.L. Protein-resistant and fibrinolytic polyurethane surfaces. Macromol. Biosci. 2012, 12:126-131.
-
(2012)
Macromol. Biosci.
, vol.12
, pp. 126-131
-
-
Wu, Z.Q.1
Chen, H.2
Liu, X.L.3
Brash, J.L.4
-
6
-
-
37549018134
-
My voyage of discovery to proteins in flatland... and and beyond
-
Norde W. My voyage of discovery to proteins in flatland... and and beyond. Colloids Surf. B 2008, 61:1-9.
-
(2008)
Colloids Surf. B
, vol.61
, pp. 1-9
-
-
Norde, W.1
-
7
-
-
0001871051
-
Driving forces for protein adsorption at solid surfaces
-
Norde W. Driving forces for protein adsorption at solid surfaces. Biopolym. Interfaces 1998, 75:27-54.
-
(1998)
Biopolym. Interfaces
, vol.75
, pp. 27-54
-
-
Norde, W.1
-
8
-
-
34548744699
-
Biocompatibility and the efficacy of medical implants
-
Shard A.G., Tomlins P.E. Biocompatibility and the efficacy of medical implants. Regen. Med. 2006, 1:789-800.
-
(2006)
Regen. Med.
, vol.1
, pp. 789-800
-
-
Shard, A.G.1
Tomlins, P.E.2
-
9
-
-
1242306392
-
Development of novel biosensor enzyme electrodes: glucose oxidase multilayer arrays immobilized onto self-assembled monolayers on electrodes
-
Itamar W., Azalia R., Benjamin S., Dalia R., Eugenii K. Development of novel biosensor enzyme electrodes: glucose oxidase multilayer arrays immobilized onto self-assembled monolayers on electrodes. Adv. Mater. 1993, 5:912-915.
-
(1993)
Adv. Mater.
, vol.5
, pp. 912-915
-
-
Itamar, W.1
Azalia, R.2
Benjamin, S.3
Dalia, R.4
Eugenii, K.5
-
10
-
-
0025763437
-
Enzyme catalysis: not different, just better
-
Knowles J.R. Enzyme catalysis: not different, just better. Nature 1991, 350:121-124.
-
(1991)
Nature
, vol.350
, pp. 121-124
-
-
Knowles, J.R.1
-
11
-
-
20344381302
-
Particulate delivery systems for biodefense subunit vaccines
-
Bramwell V.W., Eyles J.E., Oya Alpar H. Particulate delivery systems for biodefense subunit vaccines. Adv. Drug Deliv. Rev. 2005, 57:1247-1265.
-
(2005)
Adv. Drug Deliv. Rev.
, vol.57
, pp. 1247-1265
-
-
Bramwell, V.W.1
Eyles, J.E.2
Oya Alpar, H.3
-
12
-
-
84905007407
-
-
Springer, New York, NY, K. Dill, R.H. Liu, P. Grodzinski (Eds.)
-
Herr A.E. Protein Microarrays for the Detection of Biothreats 2009, 169-190. Springer, New York, NY. K. Dill, R.H. Liu, P. Grodzinski (Eds.).
-
(2009)
Protein Microarrays for the Detection of Biothreats
, pp. 169-190
-
-
Herr, A.E.1
-
13
-
-
0004146045
-
-
John Wiley & Sons, Inc., New York, NY
-
Voet D., Voet J.G., Pratt C.W. Fundamentals of Biochemistry 2002, John Wiley & Sons, Inc., New York, NY.
-
(2002)
Fundamentals of Biochemistry
-
-
Voet, D.1
Voet, J.G.2
Pratt, C.W.3
-
14
-
-
0028947257
-
Funnels, pathways, and the energy landscape of protein-folding - a synthesis
-
Bryngelson J.D., Onuchic J.N., Socci N.D., Wolynes P.G. Funnels, pathways, and the energy landscape of protein-folding - a synthesis. Proteins 1995, 21:167-195.
-
(1995)
Proteins
, vol.21
, pp. 167-195
-
-
Bryngelson, J.D.1
Onuchic, J.N.2
Socci, N.D.3
Wolynes, P.G.4
-
15
-
-
0028963362
-
Toward an outline of the topography of a realistic protein-folding funnel
-
Onuchic J.N., Wolynes P.G., Lutheyschulten Z., Socci N.D. Toward an outline of the topography of a realistic protein-folding funnel. Proc. Natl. Acad. Sci. U. S. A. 1995, 92:3626-3630.
-
(1995)
Proc. Natl. Acad. Sci. U. S. A.
, vol.92
, pp. 3626-3630
-
-
Onuchic, J.N.1
Wolynes, P.G.2
Lutheyschulten, Z.3
Socci, N.D.4
-
16
-
-
0037400643
-
Characterizing multicomponent adsorbed protein films using electron spectroscopy for chemical analysis, time-of-flight secondary ion mass spectrometry, and radiolabeling: capabilities and limitations
-
Wagner M.S., Horbett T.A., Castner D.G. Characterizing multicomponent adsorbed protein films using electron spectroscopy for chemical analysis, time-of-flight secondary ion mass spectrometry, and radiolabeling: capabilities and limitations. Biomaterials 2003, 24:1897-1908.
-
(2003)
Biomaterials
, vol.24
, pp. 1897-1908
-
-
Wagner, M.S.1
Horbett, T.A.2
Castner, D.G.3
-
17
-
-
84893555244
-
I-125-radiolabeling, surface plasmon resonance, and quartz crystal microbalance with dissipation: three tools to compare protein adsorption on surfaces of different wettability
-
Luan Y.F., Li D., Wang Y.W., Liu X.L., Brash J.L., Chen H. I-125-radiolabeling, surface plasmon resonance, and quartz crystal microbalance with dissipation: three tools to compare protein adsorption on surfaces of different wettability. Langmuir 2014, 30:1029-1035.
-
(2014)
Langmuir
, vol.30
, pp. 1029-1035
-
-
Luan, Y.F.1
Li, D.2
Wang, Y.W.3
Liu, X.L.4
Brash, J.L.5
Chen, H.6
-
18
-
-
0034089628
-
Surface plasmon resonance analysis of dynamic biological interactions with biomaterials
-
Green R.J., Frazier R.A., Shakesheff K.M., Davies M.C., Roberts C.J., Tendler S.J.B. Surface plasmon resonance analysis of dynamic biological interactions with biomaterials. Biomaterials 2000, 21:1823-1835.
-
(2000)
Biomaterials
, vol.21
, pp. 1823-1835
-
-
Green, R.J.1
Frazier, R.A.2
Shakesheff, K.M.3
Davies, M.C.4
Roberts, C.J.5
Tendler, S.J.B.6
-
19
-
-
84861553374
-
FTIR and XPS studies of protein adsorption onto functionalized bioactive glass
-
Gruian C., Vanea E., Simon S., Simon V. FTIR and XPS studies of protein adsorption onto functionalized bioactive glass. Biochim. Biophys. Acta 2012, 1824:873-881.
-
(2012)
Biochim. Biophys. Acta
, vol.1824
, pp. 873-881
-
-
Gruian, C.1
Vanea, E.2
Simon, S.3
Simon, V.4
-
20
-
-
84893664973
-
Characterization of fully functional spray-on antibody thin films
-
Figueroa J., Magana S., Lim D.V., Schlaf R. Characterization of fully functional spray-on antibody thin films. Appl. Surf. Sci. 2014, 292:726-734.
-
(2014)
Appl. Surf. Sci.
, vol.292
, pp. 726-734
-
-
Figueroa, J.1
Magana, S.2
Lim, D.V.3
Schlaf, R.4
-
21
-
-
65249116868
-
Investigation of the effects of surface chemistry and solution concentration on the conformation of adsorbed proteins using an improved circular dichroism method
-
Sivaraman B., Fears K.P., Latour R.A. Investigation of the effects of surface chemistry and solution concentration on the conformation of adsorbed proteins using an improved circular dichroism method. Langmuir 2009, 25:3050-3056.
-
(2009)
Langmuir
, vol.25
, pp. 3050-3056
-
-
Sivaraman, B.1
Fears, K.P.2
Latour, R.A.3
-
22
-
-
34548847733
-
Using circular dichroism spectra to estimate protein secondary structure
-
Greenfield N.J. Using circular dichroism spectra to estimate protein secondary structure. Nat. Protoc. 2006, 1:2876-2890.
-
(2006)
Nat. Protoc.
, vol.1
, pp. 2876-2890
-
-
Greenfield, N.J.1
-
23
-
-
84899650577
-
Determination of orientation and adsorption-induced changes in tertiary structure of protein on material surfaces by chemical modification and peptide mapping
-
Thyparambil A.A., Wei Y., Latour R.A. Determination of orientation and adsorption-induced changes in tertiary structure of protein on material surfaces by chemical modification and peptide mapping. Acta Biomater. 2014, 10:2404-2414.
-
(2014)
Acta Biomater.
, vol.10
, pp. 2404-2414
-
-
Thyparambil, A.A.1
Wei, Y.2
Latour, R.A.3
-
24
-
-
74049084977
-
Assessing the influence of adsorbed-state conformation on the bioactivity of adsorbed enzyme layers
-
Fears K.P., Latour R.A. Assessing the influence of adsorbed-state conformation on the bioactivity of adsorbed enzyme layers. Langmuir 2009, 25:13926-13933.
-
(2009)
Langmuir
, vol.25
, pp. 13926-13933
-
-
Fears, K.P.1
Latour, R.A.2
-
25
-
-
67650500988
-
CHARMM: the biomolecular simulation program
-
Brooks B.R., Brooks C.L., Mackerell A.D., Nilsson L., Petrella R.J., Roux B., Won Y., Archontis G., Bartels C., Boresch S., Caflisch A., Caves L., Cui Q., Dinner A.R., Feig M., Fischer S., Gao J., Hodoscek M., Im W., Kuczera K., Lazaridis T., Ma J., Ovchinnikov V., Paci E., Pastor R.W., Post C.B., Pu J.Z., Schaefer M., Tidor B., Venable R.M., Woodcock H.L., Wu X., Yang W., York D.M., Karplus M. 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
Caflisch, A.11
Caves, L.12
Cui, Q.13
Dinner, A.R.14
Feig, M.15
Fischer, S.16
Gao, J.17
Hodoscek, M.18
Im, W.19
Kuczera, K.20
Lazaridis, T.21
Ma, J.22
Ovchinnikov, V.23
Paci, E.24
Pastor, R.W.25
Post, C.B.26
Pu, J.Z.27
Schaefer, M.28
Tidor, B.29
Venable, R.M.30
Woodcock, H.L.31
Wu, X.32
Yang, W.33
York, D.M.34
Karplus, M.35
more..
-
26
-
-
84889262476
-
Probing G protein-coupled receptor-ligand interactions with targeted photoactivatable cross-linkers
-
Grunbeck A., Sakmar T.P. Probing G protein-coupled receptor-ligand interactions with targeted photoactivatable cross-linkers. Biochemistry 2013, 52:8625-8632.
-
(2013)
Biochemistry
, vol.52
, pp. 8625-8632
-
-
Grunbeck, A.1
Sakmar, T.P.2
-
27
-
-
76249087938
-
CHARMM general force field: a force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields
-
Vanommeslaeghe K., Hatcher E., Acharya C., Kundu S., Zhong S., Shim J., Darian E., Guvench O., Lopes P., Vorobyov I., MacKerell A.D. CHARMM general force field: a force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields. J. Comput. Chem. 2010, 31:671-690.
-
(2010)
J. Comput. Chem.
, vol.31
, pp. 671-690
-
-
Vanommeslaeghe, K.1
Hatcher, E.2
Acharya, C.3
Kundu, S.4
Zhong, S.5
Shim, J.6
Darian, E.7
Guvench, O.8
Lopes, P.9
Vorobyov, I.10
MacKerell, A.D.11
-
28
-
-
84867744859
-
Extension of the CHARMM general force field to sulfonyl-containing compounds and its utility in biomolecular simulations
-
Yu W.B., He X.B., Vanommeslaeghe K., MacKerell A.D. Extension of the CHARMM general force field to sulfonyl-containing compounds and its utility in biomolecular simulations. J. Comput. Chem. 2012, 33:2451-2468.
-
(2012)
J. Comput. Chem.
, vol.33
, pp. 2451-2468
-
-
Yu, W.B.1
He, X.B.2
Vanommeslaeghe, K.3
MacKerell, A.D.4
-
29
-
-
66249119965
-
Molecular simulation of protein-surface interactions: benefits, problems, solutions, and future directions
-
Latour R.A. Molecular simulation of protein-surface interactions: benefits, problems, solutions, and future directions. Biointerphases 2008, 3:FC2-FC12.
-
(2008)
Biointerphases
, vol.3
, pp. FC2-FC12
-
-
Latour, R.A.1
-
30
-
-
1342302795
-
The interaction of protein with solid surfaces
-
Gray J.J. The interaction of protein with solid surfaces. Curr. Opin. Struct. Biol. 2004, 14:110-115.
-
(2004)
Curr. Opin. Struct. Biol.
, vol.14
, pp. 110-115
-
-
Gray, J.J.1
-
31
-
-
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
-
32
-
-
84883082776
-
Electronic properties of a graphene device with peptide adsorption: insight from simulation
-
Akdim B., Pachter R., Kim S.S., Naik R.R., Walsh T.R., Trohalaki S., Hong G.Y., Kuang Z.F., Farmer B.L. Electronic properties of a graphene device with peptide adsorption: insight from simulation. ACS Appl. Mater. Interfaces 2013, 5:7470-7477.
-
(2013)
ACS Appl. Mater. Interfaces
, vol.5
, pp. 7470-7477
-
-
Akdim, B.1
Pachter, R.2
Kim, S.S.3
Naik, R.R.4
Walsh, T.R.5
Trohalaki, S.6
Hong, G.Y.7
Kuang, Z.F.8
Farmer, B.L.9
-
33
-
-
84904972356
-
Proteins and peptides at gold surfaces: insights from atomistic simulations
-
Bellucci L., Brancolini G., Calzolari A., Parramon O.C., Corni S., Di Felice R. Proteins and peptides at gold surfaces: insights from atomistic simulations. Proteins at Interfaces III: State of the Art 2012, vol. 1120:229-250.
-
(2012)
Proteins at Interfaces III: State of the Art
, vol.1120
, pp. 229-250
-
-
Bellucci, L.1
Brancolini, G.2
Calzolari, A.3
Parramon, O.C.4
Corni, S.5
Di Felice, R.6
-
34
-
-
84864108285
-
Comparison between empirical protein force fields for the simulation of the adsorption behavior of structured LK peptides on functionalized surfaces
-
Collier G., Vellore N.A., Yancey J.A., Stuart S.J., Latour R.A. Comparison between empirical protein force fields for the simulation of the adsorption behavior of structured LK peptides on functionalized surfaces. Biointerphases 2012, 7.
-
(2012)
Biointerphases
, vol.7
-
-
Collier, G.1
Vellore, N.A.2
Yancey, J.A.3
Stuart, S.J.4
Latour, R.A.5
-
35
-
-
84883172223
-
Conformational behavior of genetically-engineered dodecapeptides as a determinant of binding affinity for gold
-
Corni S., Hnilova M., Tamerler C., Sarikaya M. Conformational behavior of genetically-engineered dodecapeptides as a determinant of binding affinity for gold. J. Phys. Chem. C 2013, 117:16990-17003.
-
(2013)
J. Phys. Chem. C
, vol.117
, pp. 16990-17003
-
-
Corni, S.1
Hnilova, M.2
Tamerler, C.3
Sarikaya, M.4
-
36
-
-
84859569074
-
Influence of the shape of nanostructured metal surfaces on adsorption of single peptide molecules in aqueous solution
-
Feng J., Slocik J.M., Sarikaya M., Naik R.R., Farmer B.L., Heinz H. Influence of the shape of nanostructured metal surfaces on adsorption of single peptide molecules in aqueous solution. Small 2012, 8:1049-1059.
-
(2012)
Small
, vol.8
, pp. 1049-1059
-
-
Feng, J.1
Slocik, J.M.2
Sarikaya, M.3
Naik, R.R.4
Farmer, B.L.5
Heinz, H.6
-
37
-
-
79960178615
-
Simulation of peptide-surface recognition
-
Felice R.D., Corni S. Simulation of peptide-surface recognition. J. Phys. Chem. Lett. 2011, 2:1510-1519.
-
(2011)
J. Phys. Chem. Lett.
, vol.2
, pp. 1510-1519
-
-
Felice, R.D.1
Corni, S.2
-
38
-
-
77953183768
-
The conformations of amino acids on a gold(111) surface
-
Hoefling M., Iori F., Corni S., Gottschalk K.E. The conformations of amino acids on a gold(111) surface. ChemPhysChem 2010, 11:1763-1767.
-
(2010)
ChemPhysChem
, vol.11
, pp. 1763-1767
-
-
Hoefling, M.1
Iori, F.2
Corni, S.3
Gottschalk, K.E.4
-
39
-
-
84887076018
-
Biomolecular adsorption at aqueous silver interfaces: first-principles calculations, polarizable force-field simulations, and comparisons with gold
-
Hughes Z.E., Wright L.B., Walsh T.R. Biomolecular adsorption at aqueous silver interfaces: first-principles calculations, polarizable force-field simulations, and comparisons with gold. Langmuir 2013, 29:13217-13229.
-
(2013)
Langmuir
, vol.29
, pp. 13217-13229
-
-
Hughes, Z.E.1
Wright, L.B.2
Walsh, T.R.3
-
40
-
-
84899525957
-
Efficient simulations of the aqueous bio-interface of graphitic nanostructures with a polarisable model
-
Hughes Z.E., Tomasio S.M., Walsh T.R. Efficient simulations of the aqueous bio-interface of graphitic nanostructures with a polarisable model. Nanoscale 2014, 6:5438-5448.
-
(2014)
Nanoscale
, vol.6
, pp. 5438-5448
-
-
Hughes, Z.E.1
Tomasio, S.M.2
Walsh, T.R.3
-
41
-
-
84861073899
-
Structure of a peptide adsorbed on graphene and graphite
-
Katoch J., Kim S.N., Kuang Z.F., Farmer B.L., Nalk R.R., Tatulian S.A., Ishigami M. Structure of a peptide adsorbed on graphene and graphite. Nano Lett. 2012, 12:2342-2346.
-
(2012)
Nano Lett.
, vol.12
, pp. 2342-2346
-
-
Katoch, J.1
Kim, S.N.2
Kuang, Z.F.3
Farmer, B.L.4
Nalk, R.R.5
Tatulian, S.A.6
Ishigami, M.7
-
42
-
-
84874587036
-
Free energy of adsorption for a peptide at a liquid/solid interface via nonequilibrium molecular dynamics
-
Mijajlovic M., Penna M.J., Biggs M.J. Free energy of adsorption for a peptide at a liquid/solid interface via nonequilibrium molecular dynamics. Langmuir 2013, 29:2919-2926.
-
(2013)
Langmuir
, vol.29
, pp. 2919-2926
-
-
Mijajlovic, M.1
Penna, M.J.2
Biggs, M.J.3
-
43
-
-
61849151292
-
Modeling of peptide adsorption interactions with a poly(lactic acid) surface
-
O'Brien C.P., Stuart S.J., Bruce D.A., Latour R.A. Modeling of peptide adsorption interactions with a poly(lactic acid) surface. Langmuir 2008, 24:14115-14124.
-
(2008)
Langmuir
, vol.24
, pp. 14115-14124
-
-
O'Brien, C.P.1
Stuart, S.J.2
Bruce, D.A.3
Latour, R.A.4
-
44
-
-
84859615805
-
Chemistry of aqueous silica nanoparticle surfaces and the mechanism of selective peptide adsorption
-
Patwardhan S.V., Emami F.S., Berry R.J., Jones S.E., Naik R.R., Deschaume O., Heinz H., Perry C.C. Chemistry of aqueous silica nanoparticle surfaces and the mechanism of selective peptide adsorption. J. Am. Chem. Soc. 2012, 134:6244-6256.
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 6244-6256
-
-
Patwardhan, S.V.1
Emami, F.S.2
Berry, R.J.3
Jones, S.E.4
Naik, R.R.5
Deschaume, O.6
Heinz, H.7
Perry, C.C.8
-
45
-
-
79951502137
-
A classical potential to model the adsorption of biological molecules on oxidized titanium surfaces
-
Schneider J., Ciacchi L.C. 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
Ciacchi, L.C.2
-
46
-
-
84856446078
-
Specific material recognition by small peptides mediated by the interfacial solvent structure
-
Schneider J., Ciacchi L.C. Specific material recognition by small peptides mediated by the interfacial solvent structure. J. Am. Chem. Soc. 2012, 134:2407-2413.
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 2407-2413
-
-
Schneider, J.1
Ciacchi, L.C.2
-
47
-
-
84874906318
-
GoIP-CHARMM: first-principles based force fields for the interaction of proteins with Au(111) and Au(100)
-
Wright L.B., Rodger P.M., Corni S., Walsh T.R. GoIP-CHARMM: first-principles based force fields for the interaction of proteins with Au(111) and Au(100). J. Chem. Theory Comput. 2013, 9:1616-1630.
-
(2013)
J. Chem. Theory Comput.
, vol.9
, pp. 1616-1630
-
-
Wright, L.B.1
Rodger, P.M.2
Corni, S.3
Walsh, T.R.4
-
48
-
-
84874875956
-
Efficient conformational sampling of peptides adsorbed onto inorganic surfaces: insights from a quartz binding peptide
-
Wright L.B., Walsh T.R. Efficient conformational sampling of peptides adsorbed onto inorganic surfaces: insights from a quartz binding peptide. Phys. Chem. Chem. Phys. 2013, 15:4715-4726.
-
(2013)
Phys. Chem. Chem. Phys.
, vol.15
, pp. 4715-4726
-
-
Wright, L.B.1
Walsh, T.R.2
-
50
-
-
4444282928
-
A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6
-
Oostenbrink C., Villa A., Mark A.E., van Gunsteren W.F. A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6. J. Comput. Chem. 2004, 25:1656-1676.
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1656-1676
-
-
Oostenbrink, C.1
Villa, A.2
Mark, A.E.3
van Gunsteren, W.F.4
-
51
-
-
0037441653
-
Structure validation by C alpha geometry: phi, psi and C beta deviation
-
Lovell S.C., Davis I.W., Adrendall W.B., de Bakker P.I.W., Word J.M., Prisant M.G., Richardson J.S., Richardson D.C. Structure validation by C alpha geometry: phi, psi and C beta deviation. Proteins 2003, 50:437-450.
-
(2003)
Proteins
, vol.50
, pp. 437-450
-
-
Lovell, S.C.1
Davis, I.W.2
Adrendall, W.B.3
de Bakker, P.I.W.4
Word, J.M.5
Prisant, M.G.6
Richardson, J.S.7
Richardson, D.C.8
-
52
-
-
0034979318
-
Biomolecular simulations: recent developments in force fields, simulations of enzyme catalysis, protein-ligand, protein-protein, and protein-nucleic acid noncovalent interactions
-
Wang W., Donini O., Reyes C.M., Kollman P.A. Biomolecular simulations: recent developments in force fields, simulations of enzyme catalysis, protein-ligand, protein-protein, and protein-nucleic acid noncovalent interactions. Annu. Rev. Biophys. Biomol. Struct. 2001, 30:211-243.
-
(2001)
Annu. Rev. Biophys. Biomol. Struct.
, vol.30
, pp. 211-243
-
-
Wang, W.1
Donini, O.2
Reyes, C.M.3
Kollman, P.A.4
-
53
-
-
0035913529
-
Evaluation and reparametrization of the OPLS-AA force field for proteins via comparison with accurate quantum chemical calculations on peptides
-
Kaminski G.A., Friesner R.A., Tirado-Rives J., Jorgensen W.L. Evaluation and reparametrization of the OPLS-AA force field for proteins via comparison with accurate quantum chemical calculations on peptides. J. Phys. Chem. B 2001, 105:6474-6487.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 6474-6487
-
-
Kaminski, G.A.1
Friesner, R.A.2
Tirado-Rives, J.3
Jorgensen, W.L.4
-
54
-
-
84861571597
-
Simulation of multiphase systems utilizing independent force fields to control intra-phase and inter-phase behavior
-
Biswas P.K., Vellore N.A., Yancey J.A., Kucukkal T.G., Collier G., Brooks B.R., Stuart S.J., Latour R.A. Simulation of multiphase systems utilizing independent force fields to control intra-phase and inter-phase behavior. J. Comput. Chem. 2012, 33:1458-1466.
-
(2012)
J. Comput. Chem.
, vol.33
, pp. 1458-1466
-
-
Biswas, P.K.1
Vellore, N.A.2
Yancey, J.A.3
Kucukkal, T.G.4
Collier, G.5
Brooks, B.R.6
Stuart, S.J.7
Latour, R.A.8
-
55
-
-
84856066182
-
2/water interfaces
-
2/water interfaces. Phys. Status Solidi B 2012, 249:292-305.
-
(2012)
Phys. Status Solidi B
, vol.249
, pp. 292-305
-
-
Butenuth, A.1
Moras, G.2
Schneider, J.3
Koleini, M.4
Koppen, S.5
Meissner, R.6
Wright, L.B.7
Walsh, T.R.8
Colombi Ciacchi, L.9
-
56
-
-
67650159736
-
GoIP: an atomistic force-field to describe the interaction of proteins with Au(111) surfaces in water
-
Iori F., Di Felice R., Molinari E., Corni S. GoIP: an atomistic force-field to describe the interaction of proteins with Au(111) surfaces in water. 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
-
57
-
-
84867525291
-
A density functional theory study of cytosine on Au(111)
-
Rosa M., Corni S., Di Felice R. A density functional theory study of cytosine on Au(111). J. Phys. Chem. C 2012, 116:21366-21373.
-
(2012)
J. Phys. Chem. C
, vol.116
, pp. 21366-21373
-
-
Rosa, M.1
Corni, S.2
Di Felice, R.3
-
58
-
-
84866647039
-
Development of classical molecule-surface interaction potentials based on density functional theory calculations: investigation of force field representability
-
Johnston K., Herbers C.R., van der Vegt N.F.A. Development of classical molecule-surface interaction potentials based on density functional theory calculations: investigation of force field representability. J. Phys. Chem. C 2012, 116:19781-19788.
-
(2012)
J. Phys. Chem. C
, vol.116
, pp. 19781-19788
-
-
Johnston, K.1
Herbers, C.R.2
van der Vegt, N.F.A.3
-
59
-
-
42649136199
-
The role of dispersion correction to DFT for modelling weakly bound molecular complexes in the ground and excited electronic states
-
Barone V., Biczysko M., Pavone M. The role of dispersion correction to DFT for modelling weakly bound molecular complexes in the ground and excited electronic states. Chem. Phys. 2008, 346:247-256.
-
(2008)
Chem. Phys.
, vol.346
, pp. 247-256
-
-
Barone, V.1
Biczysko, M.2
Pavone, M.3
-
60
-
-
43649108963
-
Theoretical thermodynamics for large molecules: walking the thin line between accuracy and computational cost
-
Schwabe T., Grimme S. Theoretical thermodynamics for large molecules: walking the thin line between accuracy and computational cost. Acc. Chem. Res. 2008, 41:569-579.
-
(2008)
Acc. Chem. Res.
, vol.41
, pp. 569-579
-
-
Schwabe, T.1
Grimme, S.2
-
61
-
-
84872152404
-
Performance of non-local and atom-pairwise dispersion corrections to DFT for structural parameters of molecules with noncovalent interactions
-
Hujo W., Grimme S. Performance of non-local and atom-pairwise dispersion corrections to DFT for structural parameters of molecules with noncovalent interactions. J. Chem. Theory Comput. 2013, 9:308-315.
-
(2013)
J. Chem. Theory Comput.
, vol.9
, pp. 308-315
-
-
Hujo, W.1
Grimme, S.2
-
62
-
-
84872322429
-
Assessment of dispersion corrections in DFT calculations on large biological systems
-
Liao M.S., Huang M.J., Watts J.D. Assessment of dispersion corrections in DFT calculations on large biological systems. Mol. Phys. 2012, 110:3061-3076.
-
(2012)
Mol. Phys.
, vol.110
, pp. 3061-3076
-
-
Liao, M.S.1
Huang, M.J.2
Watts, J.D.3
-
63
-
-
78149406253
-
A system-dependent density-based dispersion correction
-
Steinmann S.N., Corminboeuf C. A system-dependent density-based dispersion correction. J. Chem. Theory Comput. 2010, 6:1990-2001.
-
(2010)
J. Chem. Theory Comput.
, vol.6
, pp. 1990-2001
-
-
Steinmann, S.N.1
Corminboeuf, C.2
-
64
-
-
47349127843
-
Determination of the adsorption free energy for peptide-surface interactions by SPR spectroscopy
-
Wei Y., Latour R.A. Determination of the adsorption free energy for peptide-surface interactions by SPR spectroscopy. Langmuir 2008, 24:6721-6729.
-
(2008)
Langmuir
, vol.24
, pp. 6721-6729
-
-
Wei, Y.1
Latour, R.A.2
-
65
-
-
66249146899
-
Benchmark experimental data set and assessment of adsorption free energy for peptide-surface interactions
-
Wei Y., Latour R.A. Benchmark experimental data set and assessment of adsorption free energy for peptide-surface interactions. Langmuir 2009, 25:5637-5646.
-
(2009)
Langmuir
, vol.25
, pp. 5637-5646
-
-
Wei, Y.1
Latour, R.A.2
-
66
-
-
78650183774
-
Correlation between desorption force measured by atomic force microscopy and adsorption free energy measured by surface plasmon resonance spectroscopy for peptide-surface interactions
-
Wei Y., 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
-
-
Wei, Y.1
Latour, R.A.2
-
67
-
-
84859459690
-
Determination of peptide-surface adsorption free energy for material surfaces not conducive to SPR or QCM using AFM
-
Thyparambil A.A., Wei Y., Latour R.A. Determination of peptide-surface adsorption free energy for material surfaces not conducive to SPR or QCM using AFM. Langmuir 2012, 28:5687-5694.
-
(2012)
Langmuir
, vol.28
, pp. 5687-5694
-
-
Thyparambil, A.A.1
Wei, Y.2
Latour, R.A.3
-
68
-
-
84873669486
-
Thermodynamically consistent force fields for the assembly of inorganic, organic, and biological nanostructures: the INTERFACE force field
-
Heinz H., Lin T.-J., Mishra R.K., Emami F.S. Thermodynamically consistent force fields for the assembly of inorganic, organic, and biological nanostructures: the INTERFACE force field. Langmuir 2013, 39:1754-1765.
-
(2013)
Langmuir
, vol.39
, pp. 1754-1765
-
-
Heinz, H.1
Lin, T.-J.2
Mishra, R.K.3
Emami, F.S.4
-
69
-
-
77952413158
-
Assessment of the transferability of a protein force field for the simulation of peptide-surface interactions
-
Vellore N.A., Yancey J.A., Collier G., Latour R.A., Stuart S.J. Assessment of the transferability of a protein force field for the simulation of peptide-surface interactions. Langmuir 2010, 26:7396-7404.
-
(2010)
Langmuir
, vol.26
, pp. 7396-7404
-
-
Vellore, N.A.1
Yancey, J.A.2
Collier, G.3
Latour, R.A.4
Stuart, S.J.5
-
70
-
-
84868377572
-
Development of a tuned interfacial force field parameter set for the simulation of protein adsorption to silica glass
-
Snyder J.A., Abramyan T., Yancey J.A., Stuart S.J., Latour R.A. Development of a tuned interfacial force field parameter set for the simulation of protein adsorption to silica glass. Biointerphases 2012, 7:p1-p12. article 56.
-
(2012)
Biointerphases
, vol.7
, pp. p1-p12
-
-
Snyder, J.A.1
Abramyan, T.2
Yancey, J.A.3
Stuart, S.J.4
Latour, R.A.5
-
71
-
-
84878975183
-
Quantification of the influence of protein-protein interactions on adsorbed protein structure and bioactivity
-
Wei Y., Thyparambil A.A., Latour R.A. Quantification of the influence of protein-protein interactions on adsorbed protein structure and bioactivity. Colloids Surf. B 2013, 110:363-371.
-
(2013)
Colloids Surf. B
, vol.110
, pp. 363-371
-
-
Wei, Y.1
Thyparambil, A.A.2
Latour, R.A.3
-
72
-
-
0036923706
-
Molecular dynamics simulations of a hydrated protein vectorially oriented on polar and nonpolar soft surfaces
-
Nordgren C.E., Tobias D.J., Klein M.L., Blaisie J.K. Molecular dynamics simulations of a hydrated protein vectorially oriented on polar and nonpolar soft surfaces. Biophys. J. 2002, 83:2906-2917.
-
(2002)
Biophys. J.
, vol.83
, pp. 2906-2917
-
-
Nordgren, C.E.1
Tobias, D.J.2
Klein, M.L.3
Blaisie, J.K.4
-
73
-
-
9144237008
-
Molecular simulation studies of the orientation and conformation of cytochrome c adsorbed on self-assembled monolayers
-
Zhou J., Zheng J., Jiang S. Molecular simulation studies of the orientation and conformation of cytochrome c adsorbed on self-assembled monolayers. J. Phys. Chem. B 2004, 108:17418-17424.
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 17418-17424
-
-
Zhou, J.1
Zheng, J.2
Jiang, S.3
-
74
-
-
77957902030
-
Molecular understanding of conformational dynamics of a fibronectin module on rutile (110) surface
-
Wu C., Chen M., Xing C. Molecular understanding of conformational dynamics of a fibronectin module on rutile (110) surface. Langmuir 2010, 26:15972-15981.
-
(2010)
Langmuir
, vol.26
, pp. 15972-15981
-
-
Wu, C.1
Chen, M.2
Xing, C.3
-
75
-
-
2942560503
-
A molecular modeling study of the effect of surface chemistry on the adsorption of a fibronectin fragment spanning the 7-10th type-III repeats
-
Wilson K., Stuart S.J., Garcia A., Latour R.A. A molecular modeling study of the effect of surface chemistry on the adsorption of a fibronectin fragment spanning the 7-10th type-III repeats. J. Biomed. Mater. Res. A 2004, 69A:686-698.
-
(2004)
J. Biomed. Mater. Res. A
, vol.69 A
, pp. 686-698
-
-
Wilson, K.1
Stuart, S.J.2
Garcia, A.3
Latour, R.A.4
-
76
-
-
77950207644
-
Tackling the challenges posed by target flexibility in drug design
-
Beier C., Zacharias M. Tackling the challenges posed by target flexibility in drug design. Expert Opin. Drug Discov. 2010, 5:347-359.
-
(2010)
Expert Opin. Drug Discov.
, vol.5
, pp. 347-359
-
-
Beier, C.1
Zacharias, M.2
-
77
-
-
25444481354
-
Replica exchange with solute tempering: a method for sampling biological systems in explicit water
-
Liu P., Kim B., Friesner R.A., Berne B.J. Replica exchange with solute tempering: a method for sampling biological systems in explicit water. Proc. Natl. Acad. Sci. U. S. A. 2005, 102:13749-13754.
-
(2005)
Proc. Natl. Acad. Sci. U. S. A.
, vol.102
, pp. 13749-13754
-
-
Liu, P.1
Kim, B.2
Friesner, R.A.3
Berne, B.J.4
-
78
-
-
79960928036
-
Replica exchange with solute scaling: a more efficient version of replica exchange with solute tempering (REST2)
-
Wang L., Friesner R.A., Berne B.J. Replica exchange with solute scaling: a more efficient version of replica exchange with solute tempering (REST2). J. Phys. Chem. B 2011, 115:9431-9438.
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 9431-9438
-
-
Wang, L.1
Friesner, R.A.2
Berne, B.J.3
-
79
-
-
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, 130:1-9. article 174106.
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 1-9
-
-
Li, X.1
Stuart, S.J.2
Latour, R.A.3
-
80
-
-
79952512227
-
The TIGER2 empirical accelerated sampling method: parameter sensitivity and extension to a complex molecular system
-
Li X., Latour R.A. The TIGER2 empirical accelerated sampling method: parameter sensitivity and extension to a complex molecular system. J. Comput. Chem. 2011, 32:1091-1100.
-
(2011)
J. Comput. Chem.
, vol.32
, pp. 1091-1100
-
-
Li, X.1
Latour, R.A.2
-
81
-
-
0344778061
-
Semianalytical treatment of solvation for molecular mechanics and dynamics
-
Still W.C., Tempczyk A., Hawley R.C., Hendrickson T. Semianalytical treatment of solvation for molecular mechanics and dynamics. J. Am. Chem. Soc. 1990, 112:6127-6129.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 6127-6129
-
-
Still, W.C.1
Tempczyk, A.2
Hawley, R.C.3
Hendrickson, T.4
-
82
-
-
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
-
83
-
-
84961985307
-
Development of a generalized born model parametrization for proteins and nucleic acids
-
Dominy B.N., Brooks C.L. Development of a generalized born model parametrization for proteins and nucleic acids. J. Phys. Chem. B 1999, 103:3765-3773.
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 3765-3773
-
-
Dominy, B.N.1
Brooks, C.L.2
-
84
-
-
0032757340
-
Study of the electrostatics treatment in molecular dynamics simulations
-
Garemyr R., Elofsson A. Study of the electrostatics treatment in molecular dynamics simulations. Proteins 1999, 37:417-428.
-
(1999)
Proteins
, vol.37
, pp. 417-428
-
-
Garemyr, R.1
Elofsson, A.2
-
85
-
-
0033654297
-
Generalized born models of macromolecular solvation effects
-
Bashford D., Case D.A. Generalized born models of macromolecular solvation effects. Annu. Rev. Phys. Chem. 2000, 51:129-152.
-
(2000)
Annu. Rev. Phys. Chem.
, vol.51
, pp. 129-152
-
-
Bashford, D.1
Case, D.A.2
-
86
-
-
1942456697
-
Recent advances in the development and application of implicit solvent models in biomolecule simulations
-
Feig M., Brooks C.L. Recent advances in the development and application of implicit solvent models in biomolecule simulations. Curr. Opin. Struct. Biol. 2004, 14:217-224.
-
(2004)
Curr. Opin. Struct. Biol.
, vol.14
, pp. 217-224
-
-
Feig, M.1
Brooks, C.L.2
-
87
-
-
0842333152
-
Implicit solvation based on generalized Born theory in different dielectric environments
-
Feig M., Im W., Brooks C.L. Implicit solvation based on generalized Born theory in different dielectric environments. J. Chem. Phys. 2004, 120:903-911.
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 903-911
-
-
Feig, M.1
Im, W.2
Brooks, C.L.3
-
88
-
-
0346971105
-
Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures
-
Feig M., Onufriev A., Lee M.S., Im W., Case D.A., Brooks C.L. Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures. J. Comput. Chem. 2004, 25:265-284.
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 265-284
-
-
Feig, M.1
Onufriev, A.2
Lee, M.S.3
Im, W.4
Case, D.A.5
Brooks, C.L.6
-
89
-
-
40549111613
-
FACTS: fast analytical continuum treatment of solvation
-
Haberthur U., Caflisch A. FACTS: fast analytical continuum treatment of solvation. J. Comput. Chem. 2008, 29:701-715.
-
(2008)
J. Comput. Chem.
, vol.29
, pp. 701-715
-
-
Haberthur, U.1
Caflisch, A.2
-
90
-
-
0033447703
-
Solution conformations of structured peptides: continuum electrostatics versus distance-dependent dielectric functions
-
Schaefer M., Bartels C., Karplus M. Solution conformations of structured peptides: continuum electrostatics versus distance-dependent dielectric functions. Theor. Chem. Acc. 1999, 101:194-204.
-
(1999)
Theor. Chem. Acc.
, vol.101
, pp. 194-204
-
-
Schaefer, M.1
Bartels, C.2
Karplus, M.3
-
91
-
-
57449092529
-
Calculation of protein heat capacity from replica-exchange molecular dynamics simulations with different implicit solvent models
-
Yeh I.-C., Lee M.S., Olson M.A. Calculation of protein heat capacity from replica-exchange molecular dynamics simulations with different implicit solvent models. J. Phys. Chem. B 2008, 112:15064-15073.
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 15064-15073
-
-
Yeh, I.-C.1
Lee, M.S.2
Olson, M.A.3
-
92
-
-
33751237089
-
Comparison of implicit solvent models for the simulation of protein-surface interactions
-
Sun Y., Latour R.A. Comparison of implicit solvent models for the simulation of protein-surface interactions. J. Comput. Chem. 2006, 27:1908-1922.
-
(2006)
J. Comput. Chem.
, vol.27
, pp. 1908-1922
-
-
Sun, Y.1
Latour, R.A.2
-
93
-
-
34547267323
-
Comparison of solvation-effect methods for the simulation of peptide interactions with a hydrophobic surface
-
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.
-
(2007)
J. Comput. Chem.
, vol.28
, pp. 1883-1892
-
-
Sun, Y.1
Dominy, B.N.2
Latour, R.A.3
-
94
-
-
84882325585
-
PRIMO: a transferable coarse-grained force field for proteins
-
Kar P., Gopal S.M., Cheng Y.M., Predeus A., Feig M. PRIMO: a transferable coarse-grained force field for proteins. J. Chem. Theory Comput. 2013, 9:3769-3788.
-
(2013)
J. Chem. Theory Comput.
, vol.9
, pp. 3769-3788
-
-
Kar, P.1
Gopal, S.M.2
Cheng, Y.M.3
Predeus, A.4
Feig, M.5
-
96
-
-
84873338486
-
Systematic coarse-graining methods for soft matter simulations - a review
-
Brini E., Algaer E.A., Ganguly P., Li C.L., Rodriguez-Ropero F., van der Vegt N.F.A. Systematic coarse-graining methods for soft matter simulations - a review. Soft Matter 2013, 9:2108-2119.
-
(2013)
Soft Matter
, vol.9
, pp. 2108-2119
-
-
Brini, E.1
Algaer, E.A.2
Ganguly, P.3
Li, C.L.4
Rodriguez-Ropero, F.5
van der Vegt, N.F.A.6
-
97
-
-
67650941747
-
A systematic procedure to build a relaxed dense-phase atomistic representation of a complex amorphous polymer using a coarse-grained modeling approach
-
Li X., Latour R.A. A systematic procedure to build a relaxed dense-phase atomistic representation of a complex amorphous polymer using a coarse-grained modeling approach. Polymer 2009, 50:4139-4149.
-
(2009)
Polymer
, vol.50
, pp. 4139-4149
-
-
Li, X.1
Latour, R.A.2
-
98
-
-
79959938483
-
Construction and validation of all-atom bulk-phase models of amorphous polymers using the TIGER2/TIGER3 empirical sampling method
-
Li X., Murthy N.S., Latour R.A. Construction and validation of all-atom bulk-phase models of amorphous polymers using the TIGER2/TIGER3 empirical sampling method. Macromolecules 2011, 44:5452-5464.
-
(2011)
Macromolecules
, vol.44
, pp. 5452-5464
-
-
Li, X.1
Murthy, N.S.2
Latour, R.A.3
-
99
-
-
49449113010
-
The MARTINI coarse-grained force field: extension to proteins
-
Monticelli L., Kandasamy S.K., Periole X., Larson R.G., Tieleman D.P., Marrink S.J. The MARTINI coarse-grained force field: extension to proteins. J. Chem. Theory Comput. 2008, 4:819-834.
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 819-834
-
-
Monticelli, L.1
Kandasamy, S.K.2
Periole, X.3
Larson, R.G.4
Tieleman, D.P.5
Marrink, S.J.6
-
100
-
-
0020972782
-
Theoretical studies of protein folding
-
Go N. Theoretical studies of protein folding. Annu. Rev. Biophys. Bioeng. 1983, 12:183-210.
-
(1983)
Annu. Rev. Biophys. Bioeng.
, vol.12
, pp. 183-210
-
-
Go, N.1
-
101
-
-
0242383943
-
Improved Go-like models demonstrate the robustness of protein folding mechanisms towards non-native interactions
-
Karanicolas J., Brooks C.L. Improved Go-like models demonstrate the robustness of protein folding mechanisms towards non-native interactions. J. Mol. Biol. 2003, 334:309-325.
-
(2003)
J. Mol. Biol.
, vol.334
, pp. 309-325
-
-
Karanicolas, J.1
Brooks, C.L.2
-
102
-
-
63449129633
-
Insights from coarse-grained Go models for protein folding and dynamics
-
Hills R.D., Brooks C.L. Insights from coarse-grained Go models for protein folding and dynamics. Int. J. Mol. Sci. 2009, 10:889-905.
-
(2009)
Int. J. Mol. Sci.
, vol.10
, pp. 889-905
-
-
Hills, R.D.1
Brooks, C.L.2
-
103
-
-
84884770222
-
A coarse grain model for protein-surface interactions
-
Wei S., Knotts T.A. A coarse grain model for protein-surface interactions. J. Chem. Phys. 2013, 139.
-
(2013)
J. Chem. Phys.
, vol.139
-
-
Wei, S.1
Knotts, T.A.2
-
104
-
-
84880007977
-
Understanding and modulating the competitive surface-adsorption of proteins through coarse-grained molecular dynamics simulations
-
Vilaseca P., Dawson K.A., Franzese G. Understanding and modulating the competitive surface-adsorption of proteins through coarse-grained molecular dynamics simulations. Soft Matter 2013, 9:6978.
-
(2013)
Soft Matter
, vol.9
, pp. 6978
-
-
Vilaseca, P.1
Dawson, K.A.2
Franzese, G.3
|