-
1
-
-
79960476905
-
Azobenzene photoswitches for biomolecules
-
Beharry, A. A.; Woolley, G. A. Azobenzene photoswitches for biomolecules Chem. Soc. Rev. 2011, 40 (8) 4422-4437 10.1039/c1cs15023e
-
(2011)
Chem. Soc. Rev.
, vol.40
, Issue.8
, pp. 4422-4437
-
-
Beharry, A.A.1
Woolley, G.A.2
-
2
-
-
84864232104
-
Macroscopic Volume Change of Dynamic Hydrogels Induced by Reversible DNA Hybridization
-
Peng, L.; You, M. X.; Yuan, Q.; Wu, C. C.; Han, D.; Chen, Y.; Zhong, Z. H.; Xue, J. G.; Tan, W. H. Macroscopic Volume Change of Dynamic Hydrogels Induced by Reversible DNA Hybridization J. Am. Chem. Soc. 2012, 134 (29) 12302-12307 10.1021/ja305109n
-
(2012)
J. Am. Chem. Soc.
, vol.134
, Issue.29
, pp. 12302-12307
-
-
Peng, L.1
You, M.X.2
Yuan, Q.3
Wu, C.C.4
Han, D.5
Chen, Y.6
Zhong, Z.H.7
Xue, J.G.8
Tan, W.H.9
-
3
-
-
34547150667
-
Cooperative light-induced molecular movements of highly ordered azobenzene self-assembled monolayers
-
Pace, G.; Ferri, V.; Grave, C.; Elbing, M.; von Hanisch, C.; Zharnikov, M.; Mayor, M.; Rampi, M. A.; Samori, P. Cooperative light-induced molecular movements of highly ordered azobenzene self-assembled monolayers Proc. Natl. Acad. Sci. U. S. A. 2007, 104 (24) 9937-9942 10.1073/pnas.0703748104
-
(2007)
Proc. Natl. Acad. Sci. U. S. A.
, vol.104
, Issue.24
, pp. 9937-9942
-
-
Pace, G.1
Ferri, V.2
Grave, C.3
Elbing, M.4
Von Hanisch, C.5
Zharnikov, M.6
Mayor, M.7
Rampi, M.A.8
Samori, P.9
-
4
-
-
55349085460
-
Single Component Self-Assembled Monolayers of Aromatic Azo-Biphenyl: Influence of the Packing Tightness on the SAM Structure and Light-Induced Molecular Movements
-
Elbing, M.; Blaszczyk, A.; von Haenisch, C.; Mayor, M.; Ferri, V.; Grave, C.; Rampi, M. A.; Pace, G.; Samori, P.; Shaporenko, A.; Zharnikov, M. Single Component Self-Assembled Monolayers of Aromatic Azo-Biphenyl: Influence of the Packing Tightness on the SAM Structure and Light-Induced Molecular Movements Adv. Funct. Mater. 2008, 18 (19) 2972-2983 10.1002/adfm.200800652
-
(2008)
Adv. Funct. Mater.
, vol.18
, Issue.19
, pp. 2972-2983
-
-
Elbing, M.1
Blaszczyk, A.2
Von Haenisch, C.3
Mayor, M.4
Ferri, V.5
Grave, C.6
Rampi, M.A.7
Pace, G.8
Samori, P.9
Shaporenko, A.10
Zharnikov, M.11
-
5
-
-
61949484621
-
Photocontrolled Translational Motion of a Microscale Solid Object on Azobenzene-Doped Liquid-Crystalline Films
-
Kausar, A.; Nagano, H.; Ogata, T.; Nonaka, T.; Kurihara, S. Photocontrolled Translational Motion of a Microscale Solid Object on Azobenzene-Doped Liquid-Crystalline Films Angew. Chem., Int. Ed. 2009, 48 (12) 2144-2147 10.1002/anie.200804762
-
(2009)
Angew. Chem., Int. Ed.
, vol.48
, Issue.12
, pp. 2144-2147
-
-
Kausar, A.1
Nagano, H.2
Ogata, T.3
Nonaka, T.4
Kurihara, S.5
-
6
-
-
84859729433
-
Light-Driven Chiral Molecular Switches or Motors in Liquid Crystals
-
Wang, Y.; Li, Q. Light-Driven Chiral Molecular Switches or Motors in Liquid Crystals Adv. Mater. 2012, 24 (15) 1926-1945 10.1002/adma.201200241
-
(2012)
Adv. Mater.
, vol.24
, Issue.15
, pp. 1926-1945
-
-
Wang, Y.1
Li, Q.2
-
7
-
-
33645303805
-
Mechanical twisting of a guest by a photoresponsive host
-
Muraoka, T.; Kinbara, K.; Aida, T. Mechanical twisting of a guest by a photoresponsive host Nature 2006, 440 (7083) 512-515 10.1038/nature04635
-
(2006)
Nature
, vol.440
, Issue.7083
, pp. 512-515
-
-
Muraoka, T.1
Kinbara, K.2
Aida, T.3
-
8
-
-
84884266765
-
Reversible photocontrol of biological systems by the incorporation of molecular photoswitches
-
Szymański, W.; Beierle, J. M.; Kistemaker, H. A. V.; Velema, W. A.; Feringa, B. L. Reversible photocontrol of biological systems by the incorporation of molecular photoswitches Chem. Rev. 2013, 113 (8) 6114-6178 10.1021/cr300179f
-
(2013)
Chem. Rev.
, vol.113
, Issue.8
, pp. 6114-6178
-
-
Szymański, W.1
Beierle, J.M.2
Kistemaker, H.A.V.3
Velema, W.A.4
Feringa, B.L.5
-
9
-
-
84926164967
-
Dynamic simulations of stimuli-responsive switching of azobenzene derivatives in self-assembled monolayers: Reactive rotation potential and switching functions
-
ahead-of-print
-
Tian, Z.; Wen, J.; Ma, J. Dynamic simulations of stimuli-responsive switching of azobenzene derivatives in self-assembled monolayers: reactive rotation potential and switching functions Mol. Simul. 2015, 41, 28-42 ahead-of-print 10.1080/08927022.2014.918974
-
(2015)
Mol. Simul.
, vol.41
, pp. 28-42
-
-
Tian, Z.1
Wen, J.2
Ma, J.3
-
10
-
-
84903362015
-
Reactive molecular dynamics simulations of switching processes of azobenzene-based monolayer on surface
-
Tian, Z.; Wen, J.; Ma, J. Reactive molecular dynamics simulations of switching processes of azobenzene-based monolayer on surface J. Chem. Phys. 2013, 139 (1) 014706 10.1063/1.4812379
-
(2013)
J. Chem. Phys.
, vol.139
, Issue.1
, pp. 014706
-
-
Tian, Z.1
Wen, J.2
Ma, J.3
-
11
-
-
47849095157
-
Recent advances in photoresponsive supramolecular self-assemblies
-
Yagai, S.; Kitamura, A. Recent advances in photoresponsive supramolecular self-assemblies Chem. Soc. Rev. 2008, 37 (8) 1520-1529 10.1039/b703092b
-
(2008)
Chem. Soc. Rev.
, vol.37
, Issue.8
, pp. 1520-1529
-
-
Yagai, S.1
Kitamura, A.2
-
12
-
-
0033549733
-
Photoregulation of the formation and dissociation of a DNA duplex by using the cis-trans isomerization of azobenzene
-
Asanuma, H.; Ito, T.; Yoshida, T.; Liang, X.; Komiyama, M. Photoregulation of the formation and dissociation of a DNA duplex by using the cis-trans isomerization of azobenzene Angew. Chem., Int. Ed. 1999, 38 (16) 2393-2395 10.1002/(SICI)1521-3773(19990816)38:16<2393::AID-ANIE2393>3.0.CO;2-7
-
(1999)
Angew. Chem., Int. Ed.
, vol.38
, Issue.16
, pp. 2393-2395
-
-
Asanuma, H.1
Ito, T.2
Yoshida, T.3
Liang, X.4
Komiyama, M.5
-
13
-
-
34848816809
-
Photoswitchable molecular glue for DNA
-
Dohno, C.; Uno, S. N.; Nakatani, K. Photoswitchable molecular glue for DNA J. Am. Chem. Soc. 2007, 129 (39) 11898-11899 10.1021/ja074325s
-
(2007)
J. Am. Chem. Soc.
, vol.129
, Issue.39
, pp. 11898-11899
-
-
Dohno, C.1
Uno, S.N.2
Nakatani, K.3
-
14
-
-
81355149647
-
Photoresponsive hydrogels for biomedical applications
-
Tomatsu, I.; Peng, K.; Kros, A. Photoresponsive hydrogels for biomedical applications Adv. Drug Delivery Rev. 2011, 63 (14-15) 1257-1266 10.1016/j.addr.2011.06.009
-
(2011)
Adv. Drug Delivery Rev.
, vol.63
, Issue.1415
, pp. 1257-1266
-
-
Tomatsu, I.1
Peng, K.2
Kros, A.3
-
15
-
-
84922426993
-
A New Combinatorial Method for Synthesizing, Screening, and Discovering Antifouling Surface Chemistries
-
Imbrogno, J.; Williams, M. D.; Belfort, G. A New Combinatorial Method for Synthesizing, Screening, and Discovering Antifouling Surface Chemistries ACS Appl. Mater. Interfaces 2015, 7 (4) 2385-2392 10.1021/am508943u
-
(2015)
ACS Appl. Mater. Interfaces
, vol.7
, Issue.4
, pp. 2385-2392
-
-
Imbrogno, J.1
Williams, M.D.2
Belfort, G.3
-
16
-
-
84864397020
-
Photoswitched Protein Adsorption on Electrostatically Self-Assembled Azobenzene Films
-
Zhang, J.; Hu, T.; Liu, Y.; Ma, Y.; Dong, J.; Xu, L.; Zheng, Y.; Yang, H.; Wang, G. Photoswitched Protein Adsorption on Electrostatically Self-Assembled Azobenzene Films ChemPhysChem 2012, 13 (11) 2671-2675 10.1002/cphc.201200231
-
(2012)
ChemPhysChem
, vol.13
, Issue.11
, pp. 2671-2675
-
-
Zhang, J.1
Hu, T.2
Liu, Y.3
Ma, Y.4
Dong, J.5
Xu, L.6
Zheng, Y.7
Yang, H.8
Wang, G.9
-
17
-
-
33645519958
-
Molecular-shape imprinting and immobilization of biomolecules on a polymer containing azo dye
-
Ikawa, T.; Hoshino, F.; Matsuyama, T.; Takahashi, H.; Watanabe, O. Molecular-shape imprinting and immobilization of biomolecules on a polymer containing azo dye Langmuir 2006, 22 (6) 2747-2753 10.1021/la0528394
-
(2006)
Langmuir
, vol.22
, Issue.6
, pp. 2747-2753
-
-
Ikawa, T.1
Hoshino, F.2
Matsuyama, T.3
Takahashi, H.4
Watanabe, O.5
-
18
-
-
33846371992
-
Molecular scale imaging of F-actin assemblies immobilized on a photopolymer surface
-
Ikawa, T.; Hoshino, F.; Watanabe, O.; Li, Y.; Pincus, P.; Safinya, C. R. Molecular scale imaging of F-actin assemblies immobilized on a photopolymer surface Phys. Rev. Lett. 2007, 98 (1) 018101 10.1103/PhysRevLett.98.018101
-
(2007)
Phys. Rev. Lett.
, vol.98
, Issue.1
, pp. 018101
-
-
Ikawa, T.1
Hoshino, F.2
Watanabe, O.3
Li, Y.4
Pincus, P.5
Safinya, C.R.6
-
19
-
-
77955030587
-
Viruslated photoimprint on the surface of an azobenzene-containing polymer
-
Ikawa, T.; Kato, Y.; Yamada, T.; Shiozawa, M.; Narita, M.; Mouri, M.; Hoshino, F.; Watanabe, O.; Tawata, M.; Shimoyama, H. Viruslated photoimprint on the surface of an azobenzene-containing polymer Langmuir 2010, 26 (15) 12673-12679 10.1021/la101229p
-
(2010)
Langmuir
, vol.26
, Issue.15
, pp. 12673-12679
-
-
Ikawa, T.1
Kato, Y.2
Yamada, T.3
Shiozawa, M.4
Narita, M.5
Mouri, M.6
Hoshino, F.7
Watanabe, O.8
Tawata, M.9
Shimoyama, H.10
-
20
-
-
33847018795
-
Photoinduced immobilization of biomolecules on the surface of azopolymer films and its dependence on the concentration and type of the azobenzene moiety
-
Narita, M.; Hoshino, F.; Mouri, M.; Tsuchimori, M.; Ikawa, T.; Watanabe, O. Photoinduced immobilization of biomolecules on the surface of azopolymer films and its dependence on the concentration and type of the azobenzene moiety Macromolecules 2007, 40 (3) 623-629 10.1021/ma061601z
-
(2007)
Macromolecules
, vol.40
, Issue.3
, pp. 623-629
-
-
Narita, M.1
Hoshino, F.2
Mouri, M.3
Tsuchimori, M.4
Ikawa, T.5
Watanabe, O.6
-
21
-
-
77953623583
-
Orientation Control of Photo-Immobilized Antibodies on the Surface of Azobenzene-Containing Polymers by the Introduction of Functional Groups
-
Mouri, M.; Ikawa, T.; Narita, M.; Hoshino, F.; Watanabe, O. Orientation Control of Photo-Immobilized Antibodies on the Surface of Azobenzene-Containing Polymers by the Introduction of Functional Groups Macromol. Biosci. 2010, 10 (6) 612-620 10.1002/mabi.200900394
-
(2010)
Macromol. Biosci.
, vol.10
, Issue.6
, pp. 612-620
-
-
Mouri, M.1
Ikawa, T.2
Narita, M.3
Hoshino, F.4
Watanabe, O.5
-
22
-
-
83655197598
-
Poly(zwitterionic)protein conjugates offer increased stability without sacrificing binding affinity or bioactivity
-
Keefe, A. J.; Jiang, S. Poly(zwitterionic)protein conjugates offer increased stability without sacrificing binding affinity or bioactivity Nat. Chem. 2012, 4, 59-63 10.1038/nchem.1213
-
(2012)
Nat. Chem.
, vol.4
, pp. 59-63
-
-
Keefe, A.J.1
Jiang, S.2
-
23
-
-
44449087885
-
Zwitterionic polymers exhibiting high resistance to nonspecific protein adsorption from human serum and plasma
-
Ladd, J.; Zhang, Z.; Chen, S.; Hower, J. C.; Jiang, S. Zwitterionic polymers exhibiting high resistance to nonspecific protein adsorption from human serum and plasma Biomacromolecules 2008, 9 (5) 1357-1361 10.1021/bm701301s
-
(2008)
Biomacromolecules
, vol.9
, Issue.5
, pp. 1357-1361
-
-
Ladd, J.1
Zhang, Z.2
Chen, S.3
Hower, J.C.4
Jiang, S.5
-
24
-
-
34547362369
-
Controlling cell adhesion to titanium: Functionalization of poly oligo(ethylene glycol)methacrylate brushes with cell-adhesive peptides
-
Raynor, J. E.; Petrie, T. A.; Garcia, A. J.; Collard, D. M. Controlling cell adhesion to titanium: Functionalization of poly oligo(ethylene glycol)methacrylate brushes with cell-adhesive peptides Adv. Mater. 2007, 19 (13) 1724-1728 10.1002/adma.200602129
-
(2007)
Adv. Mater.
, vol.19
, Issue.13
, pp. 1724-1728
-
-
Raynor, J.E.1
Petrie, T.A.2
Garcia, A.J.3
Collard, D.M.4
-
25
-
-
77958186125
-
Surface hydration: Principles and applications toward low-fouling/nonfouling biomaterials
-
Chen, S.; Li, L.; Zhao, C.; Zheng, J. Surface hydration: principles and applications toward low-fouling/nonfouling biomaterials Polymer 2010, 51 (23) 5283-5293 10.1016/j.polymer.2010.08.022
-
(2010)
Polymer
, vol.51
, Issue.23
, pp. 5283-5293
-
-
Chen, S.1
Li, L.2
Zhao, C.3
Zheng, J.4
-
26
-
-
80053307171
-
Lysozyme adsorption on polyethylene surfaces: Why are long simulations needed?
-
Wei, T.; Carignano, M. A.; Szleifer, I. Lysozyme adsorption on polyethylene surfaces: why are long simulations needed? Langmuir 2011, 27 (19) 12074-12081 10.1021/la202622s
-
(2011)
Langmuir
, vol.27
, Issue.19
, pp. 12074-12081
-
-
Wei, T.1
Carignano, M.A.2
Szleifer, I.3
-
27
-
-
84865697706
-
Molecular Dynamics Simulation of Lysozyme Adsorption/Desorption on Hydrophobic Surfaces
-
Wei, T.; Carignano, M. A.; Szleifer, I. Molecular Dynamics Simulation of Lysozyme Adsorption/Desorption on Hydrophobic Surfaces J. Phys. Chem. B 2012, 116 (34) 10189-10194 10.1021/jp304057e
-
(2012)
J. Phys. Chem. B
, vol.116
, Issue.34
, pp. 10189-10194
-
-
Wei, T.1
Carignano, M.A.2
Szleifer, I.3
-
28
-
-
0034255035
-
Kinetic and thermodynamic control of protein adsorption
-
Satulovsky, J.; Carignano, M.; Szleifer, I. Kinetic and thermodynamic control of protein adsorption Proc. Natl. Acad. Sci. U. S. A. 2000, 97 (16) 9037-9041 10.1073/pnas.150236197
-
(2000)
Proc. Natl. Acad. Sci. U. S. A.
, vol.97
, Issue.16
, pp. 9037-9041
-
-
Satulovsky, J.1
Carignano, M.2
Szleifer, I.3
-
29
-
-
84928475898
-
Study of lysozyme mobility and binding free energy during adsorption on a graphene surface
-
Nakano, C. M.; Ma, H.; Wei, T. Study of lysozyme mobility and binding free energy during adsorption on a graphene surface Appl. Phys. Lett. 2015, 106 (15) 153701 10.1063/1.4918292
-
(2015)
Appl. Phys. Lett.
, vol.106
, Issue.15
, pp. 153701
-
-
Nakano, C.M.1
Ma, H.2
Wei, T.3
-
30
-
-
65249164173
-
Buffer effect on protein adsorption at liquid/solid interface
-
Wei, T.; Kaewtathip, S.; Shing, K. Buffer effect on protein adsorption at liquid/solid interface J. Phys. Chem. C 2009, 113 (6) 2053-2062 10.1021/jp806586n
-
(2009)
J. Phys. Chem. C
, vol.113
, Issue.6
, pp. 2053-2062
-
-
Wei, T.1
Kaewtathip, S.2
Shing, K.3
-
31
-
-
84929606884
-
Mesoscopic coarse-grained simulations of hydrophobic charge induction chromatography (HCIC) for protein purification
-
Yu, G.; Liu, J.; Zhou, J. Mesoscopic coarse-grained simulations of hydrophobic charge induction chromatography (HCIC) for protein purification AIChE J. 2015, 61 (6) 2035-2047 10.1002/aic.14805
-
(2015)
AIChE J.
, vol.61
, Issue.6
, pp. 2035-2047
-
-
Yu, G.1
Liu, J.2
Zhou, J.3
-
32
-
-
84899806114
-
Mesoscopic Coarse-Grained Simulations of Lysozyme Adsorption
-
Yu, G.; Liu, J.; Zhou, J. Mesoscopic Coarse-Grained Simulations of Lysozyme Adsorption J. Phys. Chem. B 2014, 118 (17) 4451-4460 10.1021/jp409326f
-
(2014)
J. Phys. Chem. B
, vol.118
, Issue.17
, pp. 4451-4460
-
-
Yu, G.1
Liu, J.2
Zhou, J.3
-
33
-
-
0037418426
-
Adsorption of proteins to hydrophobic sites on mixed self-assembled monolayers
-
Ostuni, E.; Grzybowski, B. A.; Mrksich, M.; Roberts, C. S.; Whitesides, G. M. Adsorption of proteins to hydrophobic sites on mixed self-assembled monolayers Langmuir 2003, 19 (5) 1861-1872 10.1021/la020649c
-
(2003)
Langmuir
, vol.19
, Issue.5
, pp. 1861-1872
-
-
Ostuni, E.1
Grzybowski, B.A.2
Mrksich, M.3
Roberts, C.S.4
Whitesides, G.M.5
-
34
-
-
76749117243
-
Parallel tempering Monte Carlo simulations of lysozyme orientation on charged surfaces
-
Xie, Y.; Zhou, J.; Jiang, S. Y. Parallel tempering Monte Carlo simulations of lysozyme orientation on charged surfaces J. Chem. Phys. 2010, 132 (6) 065101 10.1063/1.3305244
-
(2010)
J. Chem. Phys.
, vol.132
, Issue.6
, pp. 065101
-
-
Xie, Y.1
Zhou, J.2
Jiang, S.Y.3
-
35
-
-
0035312645
-
Steered molecular dynamics and mechanical functions of proteins
-
Isralewitz, B.; Gao, M.; Schulten, K. Steered molecular dynamics and mechanical functions of proteins Curr. Opin. Struct. Biol. 2001, 11 (2) 224-230 10.1016/S0959-440X(00)00194-9
-
(2001)
Curr. Opin. Struct. Biol.
, vol.11
, Issue.2
, pp. 224-230
-
-
Isralewitz, B.1
Gao, M.2
Schulten, K.3
-
36
-
-
46249092554
-
GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
-
Hess, B.; Kutzner, C.; Spoel, D. V. D.; Lindahl, E. GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation J. Chem. Theory Comput. 2008, 4 (3) 435-447 10.1021/ct700301q
-
(2008)
J. Chem. Theory Comput.
, vol.4
, Issue.3
, pp. 435-447
-
-
Hess, B.1
Kutzner, C.2
Spoel, D.V.D.3
Lindahl, E.4
-
37
-
-
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 (14) 6244-6256 10.1021/jp037197c
-
(2012)
J. Am. Chem. Soc.
, vol.134
, Issue.14
, 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
-
38
-
-
84899407001
-
Force Field and a Surface Model Database for Silica to Simulate Interfacial Properties in Atomic Resolution
-
Emami, F. S.; Puddu, V.; Berry, R. J.; Varshney, V.; Patwardhan, S. V.; Perry, C. C.; Heinz, H. Force Field and a Surface Model Database for Silica to Simulate Interfacial Properties in Atomic Resolution Chem. Mater. 2014, 26 (8) 2647-2658 10.1021/jp1037156
-
(2014)
Chem. Mater.
, vol.26
, Issue.8
, pp. 2647-2658
-
-
Emami, F.S.1
Puddu, V.2
Berry, R.J.3
Varshney, V.4
Patwardhan, S.V.5
Perry, C.C.6
Heinz, H.7
-
39
-
-
33846477982
-
Photoswitching of the fluorescent protein asFP595: Mechanism, proton pathways, and absorption spectra
-
Schäfer, L. V.; Groenhof, G.; Klingen, A. R.; Ullmann, G. M.; Boggio-Pasqua, M.; Robb, M. A.; Grubmüller, H. Photoswitching of the fluorescent protein asFP595: mechanism, proton pathways, and absorption spectra Angew. Chem. 2007, 119 (4) 536-542 10.1002/ange.200602315
-
(2007)
Angew. Chem.
, vol.119
, Issue.4
, pp. 536-542
-
-
Schäfer, L.V.1
Groenhof, G.2
Klingen, A.R.3
Ullmann, G.M.4
Boggio-Pasqua, M.5
Robb, M.A.6
Grubmüller, H.7
-
40
-
-
84866781297
-
First-principle-based MD description of azobenzene molecular rods
-
Pipolo, S.; Benassi, E.; Brancolini, G.; Valášek, M.; Mayor, M.; Corni, S. First-principle-based MD description of azobenzene molecular rods Theor. Chem. Acc. 2012, 131 (10) 1-14 10.1007/s00214-012-1274-z
-
(2012)
Theor. Chem. Acc.
, vol.131
, Issue.10
, pp. 1-14
-
-
Pipolo, S.1
Benassi, E.2
Brancolini, G.3
Valášek, M.4
Mayor, M.5
Corni, S.6
-
41
-
-
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.; TiradoRives, 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 (45) 11225-11236 10.1021/ja9621760
-
(1996)
J. Am. Chem. Soc.
, vol.118
, Issue.45
, pp. 11225-11236
-
-
Jorgensen, W.L.1
Maxwell, D.S.2
TiradoRives, J.3
-
42
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. Comparison of simple potential functions for simulating liquid water J. Chem. Phys. 1983, 79 (2) 926-935 10.1063/1.445869
-
(1983)
J. Chem. Phys.
, vol.79
, Issue.2
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
43
-
-
33645961739
-
A SMOOTH PARTICLE MESH EWALD METHOD
-
Essmann, U.; Perera, L.; Berkowitz, M. L.; Darden, T.; Lee, H.; Pedersen, L. G. A SMOOTH PARTICLE MESH EWALD METHOD J. Chem. Phys. 1995, 103 (19) 8577-8593 10.1063/1.470117
-
(1995)
J. Chem. Phys.
, vol.103
, Issue.19
, pp. 8577-8593
-
-
Essmann, U.1
Perera, L.2
Berkowitz, M.L.3
Darden, T.4
Lee, H.5
Pedersen, L.G.6
-
44
-
-
84891349522
-
Spontaneous Membrane-Translocating Peptide Adsorption at Silica Surfaces: A Molecular Dynamics Study
-
Kubiak-Ossowska, K.; Burley, G.; Patwardhan, S. V.; Mulheran, P. A. Spontaneous Membrane-Translocating Peptide Adsorption at Silica Surfaces: A Molecular Dynamics Study J. Phys. Chem. B 2013, 117 (47) 14666-14675 10.1021/jp409130s
-
(2013)
J. Phys. Chem. B
, vol.117
, Issue.47
, pp. 14666-14675
-
-
Kubiak-Ossowska, K.1
Burley, G.2
Patwardhan, S.V.3
Mulheran, P.A.4
-
45
-
-
4243754128
-
Nonequilibrium equality for free energy differences
-
Jarzynski, C. Nonequilibrium equality for free energy differences Phys. Rev. Lett. 1997, 78 (14) 2690 10.1103/PhysRevLett.78.2690
-
(1997)
Phys. Rev. Lett.
, vol.78
, Issue.14
, pp. 2690
-
-
Jarzynski, C.1
-
46
-
-
0342929614
-
Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling
-
Torrie, G. M.; Valleau, J. P. Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling J. Comput. Phys. 1977, 23 (2) 187-199 10.1016/0021-9991(77)90121-8
-
(1977)
J. Comput. Phys.
, vol.23
, Issue.2
, pp. 187-199
-
-
Torrie, G.M.1
Valleau, J.P.2
-
47
-
-
0242268467
-
Bias and error in estimates of equilibrium free-energy differences from nonequilibrium measurements
-
Gore, J.; Ritort, F.; Bustamante, C. Bias and error in estimates of equilibrium free-energy differences from nonequilibrium measurements Proc. Natl. Acad. Sci. U. S. A. 2003, 100 (22) 12564-12569 10.1073/pnas.1635159100
-
(2003)
Proc. Natl. Acad. Sci. U. S. A.
, vol.100
, Issue.22
, pp. 12564-12569
-
-
Gore, J.1
Ritort, F.2
Bustamante, C.3
-
48
-
-
4143087050
-
Calculating potentials of mean force from steered molecular dynamics simulations
-
Park, S.; Schulten, K. Calculating potentials of mean force from steered molecular dynamics simulations J. Chem. Phys. 2004, 120 (13) 5946-5961 10.1063/1.1651473
-
(2004)
J. Chem. Phys.
, vol.120
, Issue.13
, pp. 5946-5961
-
-
Park, S.1
Schulten, K.2
-
49
-
-
0035957720
-
Reversible unfolding of single RNA molecules by mechanical force
-
Liphardt, J.; Onoa, B.; Smith, S. B.; Tinoco, I.; Bustamante, C. Reversible unfolding of single RNA molecules by mechanical force Science 2001, 292 (5517) 733-737 10.1126/science.1058498
-
(2001)
Science
, vol.292
, Issue.5517
, pp. 733-737
-
-
Liphardt, J.1
Onoa, B.2
Smith, S.B.3
Tinoco, I.4
Bustamante, C.5
-
50
-
-
79957625974
-
Dynamic information for cardiotoxin protein desorption from a methyl-terminated self-assembled monolayer using steered molecular dynamics simulation
-
Hung, S. W.; Hsiao, P. Y.; Chieng, C. C. Dynamic information for cardiotoxin protein desorption from a methyl-terminated self-assembled monolayer using steered molecular dynamics simulation J. Chem. Phys. 2011, 134 (19) 194705 10.1063/1.3592559
-
(2011)
J. Chem. Phys.
, vol.134
, Issue.19
, pp. 194705
-
-
Hung, S.W.1
Hsiao, P.Y.2
Chieng, C.C.3
-
51
-
-
84986519238
-
The weighted histogram analysis method for free-energy calculations on biomolecules. I. the method
-
Kumar, S.; Rosenberg, J. M.; Bouzida, D.; Swendsen, R. H.; Kollman, P. A. The weighted histogram analysis method for free-energy calculations on biomolecules. I. The method J. Comput. Chem. 1992, 13 (8) 1011-1021 10.1002/jcc.540130812
-
(1992)
J. Comput. Chem.
, vol.13
, Issue.8
, pp. 1011-1021
-
-
Kumar, S.1
Rosenberg, J.M.2
Bouzida, D.3
Swendsen, R.H.4
Kollman, P.A.5
-
52
-
-
34249102684
-
Atomistic simulation of alkanethiol self-assembled monolayers on different metal surfaces via a quantum, first-principles parametrization of the sulfur-metal interaction
-
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 parametrization of the sulfur-metal interaction J. Phys. Chem. C 2007, 111 (17) 6380-6391 10.1021/jp067347u
-
(2007)
J. Phys. Chem. C
, vol.111
, Issue.17
, pp. 6380-6391
-
-
Alexiadis, O.1
Harmandaris, V.A.2
Mavrantzas, V.G.3
Delle Site, L.4
-
53
-
-
0037077542
-
Combinatorial study of the mushroom-to-brush crossover in surface anchored polyacrylamide
-
Wu, T.; Efimenko, K.; Genzer, J. Combinatorial study of the mushroom-to-brush crossover in surface anchored polyacrylamide J. Am. Chem. Soc. 2002, 124 (32) 9394-9395 10.1021/ja027412n
-
(2002)
J. Am. Chem. Soc.
, vol.124
, Issue.32
, pp. 9394-9395
-
-
Wu, T.1
Efimenko, K.2
Genzer, J.3
-
54
-
-
18044398972
-
Self-assembled monolayers of thiolates on metals as a form of nanotechnology
-
Love, J. C.; Estroff, L. A.; Kriebel, J. K.; Nuzzo, R. G.; Whitesides, G. M. Self-assembled monolayers of thiolates on metals as a form of nanotechnology Chem. Rev. 2005, 105 (4) 1103-1169 10.1021/cr0300789
-
(2005)
Chem. Rev.
, vol.105
, Issue.4
, pp. 1103-1169
-
-
Love, J.C.1
Estroff, L.A.2
Kriebel, J.K.3
Nuzzo, R.G.4
Whitesides, G.M.5
-
55
-
-
2942536251
-
On the calculation of diffusion coefficients in confined fluids and interfaces with an application to the liquid-vapor interface of water
-
Liu, P.; Harder, E.; Berne, B. On the calculation of diffusion coefficients in confined fluids and interfaces with an application to the liquid-vapor interface of water J. Phys. Chem. B 2004, 108 (21) 6595-6602 10.1021/jp0375057
-
(2004)
J. Phys. Chem. B
, vol.108
, Issue.21
, pp. 6595-6602
-
-
Liu, P.1
Harder, E.2
Berne, B.3
-
56
-
-
84912527912
-
Structures, Dynamics, and Water Permeation Free Energy across Bilayers of Lipid A and Its Analog Studied with Molecular Dynamics Simulation
-
Wei, T.; Huang, T. F.; Qiao, B. F.; Zhang, M.; Ma, H.; Zhang, L. Structures, Dynamics, and Water Permeation Free Energy across Bilayers of Lipid A and Its Analog Studied with Molecular Dynamics Simulation J. Phys. Chem. B 2014, 118 (46) 13202-13209 10.1021/jp508549m
-
(2014)
J. Phys. Chem. B
, vol.118
, Issue.46
, pp. 13202-13209
-
-
Wei, T.1
Huang, T.F.2
Qiao, B.F.3
Zhang, M.4
Ma, H.5
Zhang, L.6
-
57
-
-
0029619259
-
Knowledge-based protein secondary structure assignment
-
Frishman, D.; Argos, P. Knowledge-based protein secondary structure assignment Proteins: Struct., Funct., Genet. 1995, 23 (4) 566-579 10.1002/prot.340230412
-
(1995)
Proteins: Struct., Funct., Genet.
, vol.23
, Issue.4
, pp. 566-579
-
-
Frishman, D.1
Argos, P.2
-
58
-
-
79957979942
-
Evidence of a Mobile Precursor State in Nonspecific Protein Adsorption
-
Shen, L.; Zhu, X. Y. Evidence of a Mobile Precursor State in Nonspecific Protein Adsorption Langmuir 2011, 27 (11) 7059-7064 10.1021/la200602v
-
(2011)
Langmuir
, vol.27
, Issue.11
, pp. 7059-7064
-
-
Shen, L.1
Zhu, X.Y.2
-
59
-
-
0020104694
-
Diffusion of lysozyme chloride in water and aqueous potassium chloride solutions
-
Cadman, A. D.; Fleming, R.; Guy, R. H. Diffusion of lysozyme chloride in water and aqueous potassium chloride solutions Biophys. J. 1982, 37 (3) 569-574
-
(1982)
Biophys. J.
, vol.37
, Issue.3
, pp. 569-574
-
-
Cadman, A.D.1
Fleming, R.2
Guy, R.H.3
|