-
1
-
-
0030595236
-
Excitation energy transfer in carotenoid-chlorophyll protein complexes probed by femtosecond fluorescence decays
-
Akimoto, S., S. Takaichi, T. Ogata, Y. Nishimura, I. Yamazaki, and M. Mimuro. 1996. Excitation energy transfer in carotenoid-chlorophyll protein complexes probed by femtosecond fluorescence decays. Chem. Phys. Lett. 260:147-152.
-
(1996)
Chem. Phys. Lett.
, vol.260
, pp. 147-152
-
-
Akimoto, S.1
Takaichi, S.2
Ogata, T.3
Nishimura, Y.4
Yamazaki, I.5
Mimuro, M.6
-
2
-
-
5244255059
-
Calculations of spectroscopic properties of the LH2 bacteriochlorophyll-brotein antenna complex from Rhodopseudomonas acidophila
-
Alden, R. G., E. Johnson, V. Nagarajan, W. W. Parson, C. J. Law, and R. G. Cogdell. 1997. Calculations of spectroscopic properties of the LH2 bacteriochlorophyll-brotein antenna complex from Rhodopseudomonas acidophila. J. Phys. Chem. B. 101:4667-4680.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 4667-4680
-
-
Alden, R.G.1
Johnson, E.2
Nagarajan, V.3
Parson, W.W.4
Law, C.J.5
Cogdell, R.G.6
-
3
-
-
0032802062
-
On the convergence of the conformational coordinates basis set obtained by the essential dynamics of proteins' molecular dynamics simulations
-
Amadei, A., M.-A. Ceruso, and A. Di Nola. 1999a. On the convergence of the conformational coordinates basis set obtained by the essential dynamics of proteins' molecular dynamics simulations. Proteins. 36:419-424.
-
(1999)
Proteins
, vol.36
, pp. 419-424
-
-
Amadei, A.1
Ceruso, M.-A.2
Di Nola, A.3
-
4
-
-
0002178685
-
Molecular dynamics simulations with constrained roto-translational motions: Theoretical basis and statistical mechanical consistency
-
Amadei, A., G. Chillemi, M.-A. Ceruso, A. Grottesi, and A. Di Nola. 2000. Molecular dynamics simulations with constrained roto-translational motions: theoretical basis and statistical mechanical consistency. J. Chem. Phys. 112:9-23.
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 9-23
-
-
Amadei, A.1
Chillemi, G.2
Ceruso, M.-A.3
Grottesi, A.4
Di Nola, A.5
-
5
-
-
0033562584
-
A kinetic model for the internal motions of proteins: Diffusion between multiple harmonic wells
-
Amadei, A., B. L. de Groot, M.-A. Ceruso, M. Paci, A. Di Nola, and H. J. C. Berendsen. 1999b. A kinetic model for the internal motions of proteins: diffusion between multiple harmonic wells. Proteins. 35:283-292.
-
(1999)
Proteins
, vol.35
, pp. 283-292
-
-
Amadei, A.1
De Groot, B.L.2
Ceruso, M.-A.3
Paci, M.4
Di Nola, A.5
Berendsen, H.J.C.6
-
7
-
-
0001321346
-
A first-principles method to model perturbed electronic wavefunctions: The effect of an external homogeneous electric field
-
Aschi, M., R. Spezia, A. Di Nola, and A. Amadei. 2001. A first-principles method to model perturbed electronic wavefunctions: the effect of an external homogeneous electric field. Chem. Phys. Lett. 344:374-380.
-
(2001)
Chem. Phys. Lett.
, vol.344
, pp. 374-380
-
-
Aschi, M.1
Spezia, R.2
Di Nola, A.3
Amadei, A.4
-
8
-
-
0001001551
-
Singlet and triplet energy transfer in the peridinin-chlorophyll a protein from Amphidinium carterae
-
Bautista, J. A., R. G. Hiller, F. P. Sharples, D. Gosztola, M. Wasielewski, and H. A. Frank. 1999. Singlet and triplet energy transfer in the peridinin-chlorophyll a protein from Amphidinium carterae. J. Phys. Chem. A. 103:2267-2273.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 2267-2273
-
-
Bautista, J.A.1
Hiller, R.G.2
Sharples, F.P.3
Gosztola, D.4
Wasielewski, M.5
Frank, H.A.6
-
9
-
-
0003633496
-
-
Reidel, Dordrecht, The Netherlands
-
Berendsen, H. J. C., J. P. M. Postma, W. F. van Gunsteren, and J. Hermans. 1981. Interaction Models for Water in Relation to Protein Hydration. Reidel, Dordrecht, The Netherlands. 331-342.
-
(1981)
Interaction Models for Water in Relation to Protein Hydration
, pp. 331-342
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunsteren, W.F.3
Hermans, J.4
-
10
-
-
36549099435
-
Molecular dynamics simulations of polymer fiber microstructure
-
Brown, D., and J. Clarke. 1986. Molecular dynamics simulations of polymer fiber microstructure. J. Chem. Phys. 84:2858-2865.
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 2858-2865
-
-
Brown, D.1
Clarke, J.2
-
11
-
-
0038613232
-
Model for triplet-triplet energy transfer in natural clusters of peridinin molecules contained in dinoflagellate's outer antenna proteins
-
Carbonera, D., G. Giacometti, U. Segre, A. Angerhofer, and U. Gross. 1999a. Model for triplet-triplet energy transfer in natural clusters of peridinin molecules contained in dinoflagellate's outer antenna proteins. J. Phys. Chem. B. 103:6357-6362.
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 6357-6362
-
-
Carbonera, D.1
Giacometti, G.2
Segre, U.3
Angerhofer, A.4
Gross, U.5
-
12
-
-
0001114094
-
Structure-based calculations of the optical spectra of the Lightharvesting peridinin-chlorophyll-protein complexes from Amphidinium carterae and Heterocapsa pygmaea
-
Carbonera, D., G. Giacometti, U. Segre, E. Hofmann, and R. G. Hiller. 1999b. Structure-based calculations of the optical spectra of the Lightharvesting peridinin-chlorophyll-protein complexes from Amphidinium carterae and Heterocapsa pygmaea. J. Phys. Chem. B. 103:6349-6356.
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 6349-6356
-
-
Carbonera, D.1
Giacometti, G.2
Segre, U.3
Hofmann, E.4
Hiller, R.G.5
-
13
-
-
0032901423
-
Mechanics and dynamics of B1 domain of protein G: Role of packing and surface hydrophobic residues
-
Ceruso, M.-A., A. Amadei, and A. Di Nola. 1999. Mechanics and dynamics of B1 domain of protein G: role of packing and surface hydrophobic residues. Protein Sci. 8:147-160.
-
(1999)
Protein Sci.
, vol.8
, pp. 147-160
-
-
Ceruso, M.-A.1
Amadei, A.2
Di Nola, A.3
-
14
-
-
0030836641
-
The essential dynamics of Cu, Zn superoxide dismutase: Suggestion of intersubunit communication
-
Chillemi, G., M. Falconi, A. Amadei, G. Zimatore, A. Desideri, and A. Di Nola. 1997. The essential dynamics of Cu, Zn superoxide dismutase: suggestion of intersubunit communication. Biophys. J. 73:1007-1018.
-
(1997)
Biophys. J.
, vol.73
, pp. 1007-1018
-
-
Chillemi, G.1
Falconi, M.2
Amadei, A.3
Zimatore, G.4
Desideri, A.5
Di Nola, A.6
-
15
-
-
0032769733
-
The neoxanthin binding site of the major light harvesting complex (LHCII) from higher plants
-
Croce, R., R. Remelli, C. Varotto, J. Breton, and R. Bassi. 1999. The neoxanthin binding site of the major light harvesting complex (LHCII) from higher plants. FEBS Lett. 456:1-6.
-
(1999)
FEBS Lett.
, vol.456
, pp. 1-6
-
-
Croce, R.1
Remelli, R.2
Varotto, C.3
Breton, J.4
Bassi, R.5
-
16
-
-
41349092888
-
Excitons in a photosynthetic light-harvesting system: A combined molecular dynamics, quantum chemistry, and polaron model study
-
Damjanovic, A., I. Kosztin, U. Kleinekathöfer, and K. Schulten. 2002. Excitons in a photosynthetic light-harvesting system: a combined molecular dynamics, quantum chemistry, and polaron model study. Phys. Rev. E. 65:031919-031963.
-
(2002)
Phys. Rev. E
, vol.65
, pp. 031919-031963
-
-
Damjanovic, A.1
Kosztin, I.2
Kleinekathöfer, U.3
Schulten, K.4
-
17
-
-
0033799023
-
Excitation transfer in the peridinin-chlorophyll-protein of Amphidinium carterae
-
Damjanovic, A., T. Ritz, and K. Schulten. 2000. Excitation transfer in the peridinin-chlorophyll-protein of Amphidinium carterae. Biophys. J. 79:1695-1705.
-
(2000)
Biophys. J.
, vol.79
, pp. 1695-1705
-
-
Damjanovic, A.1
Ritz, T.2
Schulten, K.3
-
18
-
-
0029818017
-
The consistency of large concerted motions in proteins in molecular dynamics simulations
-
de Groot, B. L., D. M. F. van Aalten, A. Amadei, and H. J. C. Berendsen. 1996. The consistency of large concerted motions in proteins in molecular dynamics simulations. Biophys. J. 71:1707-1713.
-
(1996)
Biophys. J.
, vol.71
, pp. 1707-1713
-
-
De Groot, B.L.1
Van Aalten, D.M.F.2
Amadei, A.3
Berendsen, H.J.C.4
-
19
-
-
36849115659
-
Self-consistent molecular-orbital method. IX. An extended Gaussian-type basis for molecular orbital studies of organic molecules
-
Ditchfield, R., W. J. Hehre, and J. A. Pople. 1971. Self-consistent molecular-orbital method. IX. An extended Gaussian-type basis for molecular orbital studies of organic molecules. J. Chem. Phys. 54:724-728.
-
(1971)
J. Chem. Phys.
, vol.54
, pp. 724-728
-
-
Ditchfield, R.1
Hehre, W.J.2
Pople, J.A.3
-
20
-
-
0003662632
-
-
Gaussian, Pittsburgh, PA
-
Frisch, M. J., G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle, and J. A. Pople. 1998. Gaussian 98 (Revision A.7). Gaussian, Pittsburgh, PA.
-
(1998)
Gaussian 98 (Revision A.7)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery J.A., Jr.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Baboul, A.G.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
Martin, R.L.43
Fox, D.J.44
Keith, T.45
Al-Laham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Gonzalez, C.49
Challacombe, M.50
Gill, P.M.W.51
Johnson, B.G.52
Chen, W.53
Wong, M.W.54
Andres, J.L.55
Head-Gordon, M.56
Replogle, E.S.57
Pople, J.A.58
more..
-
21
-
-
0001203080
-
Theoretical comparative study of free-based porphyrin, chlorin, bacteriochlorin, and isobacteriochlorin: Evaluation of the potential roles of ab initio Hartree-Fock and density functional theories in hydrophorphyrin chemistry
-
Ghosh, A. 1997. Theoretical comparative study of free-based porphyrin, chlorin, bacteriochlorin, and isobacteriochlorin: evaluation of the potential roles of ab initio Hartree-Fock and density functional theories in hydrophorphyrin chemistry. J. Phys. Chem. B. 101:3290-3297.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 3290-3297
-
-
Ghosh, A.1
-
22
-
-
85022583881
-
The isomers of silacyclopropane
-
Gordon, M. S. 1980. The isomers of silacyclopropane. Chem. Phys. Lett. 76:163-168.
-
(1980)
Chem. Phys. Lett.
, vol.76
, pp. 163-168
-
-
Gordon, M.S.1
-
23
-
-
33845555195
-
Self-consistent molecular orbital methods 22: Small split-valence basis sets for second-row elements
-
Gordon, M. S., J. S. Binkley, J. A. Pople, W. J. Pietro, and W. J. Hehre. 1982. Self-consistent molecular orbital methods 22: small split-valence basis sets for second-row elements. J. Am. Chem. Soc. 104:2797-2803.
-
(1982)
J. Am. Chem. Soc.
, vol.104
, pp. 2797-2803
-
-
Gordon, M.S.1
Binkley, J.S.2
Pople, J.A.3
Pietro, W.J.4
Hehre, W.J.5
-
24
-
-
0035909727
-
Structural determinants of spectral tuning in retinal proteins-bacteriorhodopsin vs. sensory rhodopsin II
-
Hayashi, S., E. Tajkhorshid, E. Pebay-Peyroula, A. Royant, E. M. Landau, J. Navarro, and K. Schulten. 2001. Structural determinants of spectral tuning in retinal proteins-bacteriorhodopsin vs. sensory rhodopsin II. J. Phys. Chem. B. 105:10124-10131.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 10124-10131
-
-
Hayashi, S.1
Tajkhorshid, E.2
Pebay-Peyroula, E.3
Royant, A.4
Landau, E.M.5
Navarro, J.6
Schulten, K.7
-
25
-
-
0031997484
-
Theoretical study of the excited states of chlorin, bacteriochlorin, pheophytin a and chlorophyll a by the SAC/SAC-CI method
-
Hasegawa, J., Y. Ozeki, K. Ohkawa, M. Hada, and H. Nakatsuji. 1998. Theoretical study of the excited states of chlorin, bacteriochlorin, pheophytin a and chlorophyll a by the SAC/SAC-CI method. J. Phys. Chem. B. 102:1320-1326.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 1320-1326
-
-
Hasegawa, J.1
Ozeki, Y.2
Ohkawa, K.3
Hada, M.4
Nakatsuji, H.5
-
26
-
-
0347170005
-
Self-consistent molecular orbital methods. XII. Further extensions of Gaussian-type basis sets for use in molecular orbitals studies of organic molecules
-
Hehre, W. J., R. Ditchfield, and J. A. Pople. 1972. Self-consistent molecular orbital methods. XII. Further extensions of Gaussian-type basis sets for use in molecular orbitals studies of organic molecules. J. Chem. Phys. 56:2257-2261.
-
(1972)
J. Chem. Phys.
, vol.56
, pp. 2257-2261
-
-
Hehre, W.J.1
Ditchfield, R.2
Pople, J.A.3
-
27
-
-
0030055628
-
Structural basis of light harvesting carotenoids: Peridinin-chloroophyll-protein from Amphidinium carterae
-
Hofmann, E., P. M. Wrench, F. P. Sharples, R. G. Hiller, W. Welte, and K. Diederichs. 1996. Structural basis of light harvesting carotenoids: peridinin-chloroophyll-protein from Amphidinium carterae. Science. 272:1788-1791.
-
(1996)
Science
, vol.272
, pp. 1788-1791
-
-
Hofmann, E.1
Wrench, P.M.2
Sharples, F.P.3
Hiller, R.G.4
Welte, W.5
Diederichs, K.6
-
28
-
-
0342589408
-
Pigment organization and transfer of electronic excitation in the photosynthetic unit of purple bacteria
-
Hu, X., T. Ritz, A. Damjanovic, and K. Schulten. 1997. Pigment organization and transfer of electronic excitation in the photosynthetic unit of purple bacteria. J. Phys. Chem. B. 101:3854-3871.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 3854-3871
-
-
Hu, X.1
Ritz, T.2
Damjanovic, A.3
Schulten, K.4
-
29
-
-
0000479774
-
y-trap states
-
y-trap states. J. Phys. Chem. B. 104:11805-11815.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 11805-11815
-
-
Jankowiak, R.1
Zazubovich, V.2
Rätsep, M.3
Matsuzaki, S.4
Alfonso, M.5
Picorel, R.6
Seibert, M.7
Small, G.J.8
-
30
-
-
0033621630
-
Förster excitation energy transfer in peridinin-cholorophyll-a-protein
-
Kleima, F. J., E. Hofmann, B. Gobets, I. H. M. van Stokkum, R. van Grondelle, K. Diederichs, and H. van Amerongen. 2000a. Förster excitation energy transfer in peridinin-cholorophyll-a-protein. Biophys. J. 78:344-353.
-
(2000)
Biophys. J.
, vol.78
, pp. 344-353
-
-
Kleima, F.J.1
Hofmann, E.2
Gobets, B.3
Van Stokkum, I.H.M.4
Van Grondelle, R.5
Diederichs, K.6
Van Amerongen, H.7
-
31
-
-
0034595303
-
Peridinin chlorophyll a protein: Relating structure and steady-state spectroscopy
-
Kleima, F. J., M. Wendling, E. Hofmann, E. J. G. Peterman, R. van Grondelle, and H. van Amerongen. 2000b. Peridinin chlorophyll a protein: relating structure and steady-state spectroscopy. Biochemistry. 39:5184-5195.
-
(2000)
Biochemistry
, vol.39
, pp. 5184-5195
-
-
Kleima, F.J.1
Wendling, M.2
Hofmann, E.3
Peterman, E.J.G.4
Van Grondelle, R.5
Van Amerongen, H.6
-
32
-
-
0030585121
-
The crystal structure of the light-harvesting complex II (B800-850) from Rhodospirillum molischianum
-
Koepke, J., X. C. Hu, C. Muenke, K. Schulten, and H. Michel. 1996. The crystal structure of the light-harvesting complex II (B800-850) from Rhodospirillum molischianum. Structure. 4:581-597.
-
(1996)
Structure
, vol.4
, pp. 581-597
-
-
Koepke, J.1
Hu, X.C.2
Muenke, C.3
Schulten, K.4
Michel, H.5
-
33
-
-
0017697816
-
The chromophore topography and binding environment of peridinin chlorophyll a protein complexes from marine dinofiagellate algae
-
Koka, P., and P.-S. Song. 1997. The chromophore topography and binding environment of peridinin chlorophyll a protein complexes from marine dinofiagellate algae. Biochim. Biophys. Acta. 495:220-231.
-
(1997)
Biochim. Biophys. Acta
, vol.495
, pp. 220-231
-
-
Koka, P.1
Song, P.-S.2
-
34
-
-
0026244229
-
MolScript: A program to produce both detailed and schematic plots of protein structures
-
Kraulis, P. J. 1991. MolScript: a program to produce both detailed and schematic plots of protein structures. J. Appl. Crystallogr. 24:946-950.
-
(1991)
J. Appl. Crystallogr.
, vol.24
, pp. 946-950
-
-
Kraulis, P.J.1
-
35
-
-
0028147508
-
Atomic model of plant light-harvesting complex by electron crystallography
-
Kuhlbrandt, W., D. N. Wang, and Y. Fujiyoshi. 1994. Atomic model of plant light-harvesting complex by electron crystallography. Nature. 367:614-621.
-
(1994)
Nature
, vol.367
, pp. 614-621
-
-
Kuhlbrandt, W.1
Wang, D.N.2
Fujiyoshi, Y.3
-
37
-
-
0018333224
-
Structure of a bacteriochlorophyll a-protein from the green photosynthetic bacterium Prosthecochloris aestuarii
-
Matthews, B. W., R. E. Fenna, M. C. Bolognesi, M. F. Schmid, and J. M. Olsom. 1979. Structure of a bacteriochlorophyll a-protein from the green photosynthetic bacterium Prosthecochloris aestuarii. J. Mol. Biol. 131:259-285.
-
(1979)
J. Mol. Biol.
, vol.131
, pp. 259-285
-
-
Matthews, B.W.1
Fenna, R.E.2
Bolognesi, M.C.3
Schmid, M.F.4
Olsom, J.M.5
-
38
-
-
0029637583
-
Crystal structure of an integral membrane light-harvesting complex from photosynthetic bacteria
-
McDermott, G., S. M. Prince, A. A. Freer, A. M. HawthornthwaiteLawless, M. Z. Papiz, R. J. Cogdell, and N. W. Isaacs. 1995. Crystal structure of an integral membrane light-harvesting complex from photosynthetic bacteria. Nature. 374:517-521.
-
(1995)
Nature
, vol.374
, pp. 517-521
-
-
McDermott, G.1
Prince, S.M.2
Freer, A.A.3
HawthornthwaiteLawless, A.M.4
Papiz, M.Z.5
Cogdell, R.J.6
Isaacs, N.W.7
-
39
-
-
0030815133
-
Raster3D: Photorealistic molecular graphics
-
Merritt, E. A., and D. J. Bacon. 1997. Raster3D: photorealistic molecular graphics. Methods Enzymol. 277:505-524.
-
(1997)
Methods Enzymol.
, vol.277
, pp. 505-524
-
-
Merritt, E.A.1
Bacon, D.J.2
-
40
-
-
0001137107
-
Spectroscopic properties of chlorophylls and their derivatives. Influence of molecular structure on the electronic state
-
Nonomura, Y., S. Igarashi, N. Yoshioka, and H. Inoue. 1997. Spectroscopic properties of chlorophylls and their derivatives. Influence of molecular structure on the electronic state. Chem. Phys. 220:155-166.
-
(1997)
Chem. Phys.
, vol.220
, pp. 155-166
-
-
Nonomura, Y.1
Igarashi, S.2
Yoshioka, N.3
Inoue, H.4
-
41
-
-
0040296635
-
Spectroscopic characterization of the spinach Lhcb4 protein (CP29), a minor light-harvesting complex of photosystem II
-
Pascal, A., C. Gradinaru, U. Wacker, E. Peterman, F. Calkoen, K.-D. Irrgang, P. Horton, G. Renger, R. van Grondelle, B. Robert, and H. van Amerongen. 1999. Spectroscopic characterization of the spinach Lhcb4 protein (CP29), a minor light-harvesting complex of photosystem II. Eur. J. Biochem. 262:817-823.
-
(1999)
Eur. J. Biochem.
, vol.262
, pp. 817-823
-
-
Pascal, A.1
Gradinaru, C.2
Wacker, U.3
Peterman, E.4
Calkoen, F.5
Irrgang, K.-D.6
Horton, P.7
Renger, G.8
Van Grondelle, R.9
Robert, B.10
Van Amerongen, H.11
-
42
-
-
0011965942
-
Self-consistent molecular orbital methods. 21. Supplemented small split-valence basis sets for second-row elements
-
Pietro, W. J., M. M. Franci, W. J. Hehre, D. J. De Frees, J. A. Pople, and J. S. Binkley. 1982. Self-consistent molecular orbital methods. 21. Supplemented small split-valence basis sets for second-row elements. J. Am. Chem. Soc. 104:5039-5048.
-
(1982)
J. Am. Chem. Soc.
, vol.104
, pp. 5039-5048
-
-
Pietro, W.J.1
Franci, M.M.2
Hehre, W.J.3
De Frees, D.J.4
Pople, J.A.5
Binkley, J.S.6
-
43
-
-
0035923404
-
Molecular mechanism of spectral tuning in sensory rhodopsin II
-
Ren, L., C. H. Martin, K. J. Wise, N. B. Gillespie, H. Luecke, J. K. Lanyi, J. L. Spudich, and R. R. Birge. 2001. Molecular mechanism of spectral tuning in sensory rhodopsin II. Biochemistry. 40:13906-13914.
-
(2001)
Biochemistry
, vol.40
, pp. 13906-13914
-
-
Ren, L.1
Martin, C.H.2
Wise, K.J.3
Gillespie, N.B.4
Luecke, H.5
Lanyi, J.K.6
Spudich, J.L.7
Birge, R.R.8
-
44
-
-
33646940952
-
Numerical integration of the Cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes
-
Ryckaert, J. P., G. Ciccotti, and H. J. C. Berendsen. 1977. Numerical integration of the Cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes. J. Comp. Phys. 3:327-341.
-
(1977)
J. Comp. Phys.
, vol.3
, pp. 327-341
-
-
Ryckaert, J.P.1
Ciccotti, G.2
Berendsen, H.J.C.3
-
45
-
-
0000825793
-
Ab initio MO study of the chlorophyll dimer in the photosynthetic reaction center. I. A theoretical treatment of the electrostatic field created by the surrounding proteins
-
Sakuma, T., H. Kashiwagi, T. Takada, and H. Nakamura. 1997. Ab initio MO study of the chlorophyll dimer in the photosynthetic reaction center. I. A theoretical treatment of the electrostatic field created by the surrounding proteins. Int. J. Quant. Chem. 61:137-151.
-
(1997)
Int. J. Quant. Chem.
, vol.61
, pp. 137-151
-
-
Sakuma, T.1
Kashiwagi, H.2
Takada, T.3
Nakamura, H.4
-
46
-
-
0034315696
-
Energy transfer in the B800 rings of the peripheral bacterial light-harvesting complexes of Rhodopseudomonas acidophila and Rhodospirillum molischianum studied by photon echo techniques
-
Salverda, J. M., F. van Mourik, G. van der Zwan, and R. van Grondelle. 2000. Energy transfer in the B800 rings of the peripheral bacterial light-harvesting complexes of Rhodopseudomonas acidophila and Rhodospirillum molischianum studied by photon echo techniques. J. Phys. Chem. B. 104:11395-11408.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 11395-11408
-
-
Salverda, J.M.1
Van Mourik, F.2
Van der Zwan, G.3
Van Grondelle, R.4
-
47
-
-
84893169025
-
General atomic and molecular electronic structure system
-
Schmidt, M. W., K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. J. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. Su, T. L. Windus, M. Dupuis, and J. A. Montgomery. 1993. General atomic and molecular electronic structure system. J. Comput. Chem. 14:1347-1363.
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1347-1363
-
-
Schmidt, M.W.1
Baldridge, K.K.2
Boatz, J.A.3
Elbert, S.T.4
Gordon, M.S.5
Jensen, J.J.6
Koseki, S.7
Matsunaga, N.8
Nguyen, K.A.9
Su, S.10
Windus, T.L.11
Dupuis, M.12
Montgomery, J.A.13
-
48
-
-
0001363007
-
Transition-metal systems in biochemistry studied by high accuracy quantum chemical methods
-
Siegbahn, P. E. M., and M. R. A. Blomberg. 2000. Transition-metal systems in biochemistry studied by high accuracy quantum chemical methods. Chem. Rev. 100:421-438.
-
(2000)
Chem. Rev.
, vol.100
, pp. 421-438
-
-
Siegbahn, P.E.M.1
Blomberg, M.R.A.2
-
49
-
-
0037073225
-
Extension of the perturbed matrix method: Application to a water molecule
-
Spezia, R., M. Aschi, A. Di Nola, and A. Amadei. 2002. Extension of the perturbed matrix method: application to a water molecule. Chem. Phys. Lett. 365:450-456.
-
(2002)
Chem. Phys. Lett.
, vol.365
, pp. 450-456
-
-
Spezia, R.1
Aschi, M.2
Di Nola, A.3
Amadei, A.4
-
50
-
-
0001635103
-
Density functional theory calculations of the visible spectrum of chlorophyll a
-
Sundholm, D. 1999. Density functional theory calculations of the visible spectrum of chlorophyll a. Chem. Phys. Lett. 302:480-484.
-
(1999)
Chem. Phys. Lett.
, vol.302
, pp. 480-484
-
-
Sundholm, D.1
-
51
-
-
0000220848
-
Photosynthetic light-harvesting: Reconciling dynamics and structure of purple bacterial LH2 reveals function of photosynthetic unit
-
Sundström, V., T. Pullerits, and R. van Grondelle. 1999. Photosynthetic light-harvesting: reconciling dynamics and structure of purple bacterial LH2 reveals function of photosynthetic unit. J. Phys. Chem. B. 103:2327-2346.
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 2327-2346
-
-
Sundström, V.1
Pullerits, T.2
Van Grondelle, R.3
-
52
-
-
0029075795
-
The essential dynamics of thermolysin: Confirmation of the hinge-bending motion and comparison of simulations in vacuum and water
-
van Aalten, M. F., A. Amadei, A. B. M. Linssen, V. G. H. Eijsink, G. Vriend, and H. J. C. Berendsen. 1995a. The essential dynamics of thermolysin: confirmation of the hinge-bending motion and comparison of simulations in vacuum and water. Proteins. 22:45-54.
-
(1995)
Proteins
, vol.22
, pp. 45-54
-
-
Van Aalten, M.F.1
Amadei, A.2
Linssen, A.B.M.3
Eijsink, V.G.H.4
Vriend, G.5
Berendsen, H.J.C.6
-
53
-
-
0029586726
-
Essential dynamics of the cellular retinol-binding protein - Evidence for ligand-induced conformational changes
-
van Aalten, M. F., J. B. C. Findlay, A. Amadei, and H. J. C. Berendsen. 1995b. Essential dynamics of the cellular retinol-binding protein - evidence for ligand-induced conformational changes. Protein Eng. 8:1129-1136.
-
(1995)
Protein Eng.
, vol.8
, pp. 1129-1136
-
-
Van Aalten, M.F.1
Findlay, J.B.C.2
Amadei, A.3
Berendsen, H.J.C.4
-
54
-
-
0011746241
-
A molecular dynamics study of the decane/water interface
-
van Buuren, A. R., S. J. Marrink, and H. J. C. Berendsen. 1993. A molecular dynamics study of the decane/water interface. J. Phys. Chem. 97:9206-9212.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 9206-9212
-
-
Van Buuren, A.R.1
Marrink, S.J.2
Berendsen, H.J.C.3
-
55
-
-
0003916606
-
-
University of Groningen, Groningen, The Netherlands
-
van der Spoel, D., H. J. C. Berendsen, A. R. van Buuren, M. E. F. Apol, P. J. Meulenhoff, and A. L. T. M. Sijbers. 1995. GROMACS User Manual. University of Groningen, Groningen, The Netherlands.
-
(1995)
GROMACS User Manual
-
-
Van der Spoel, D.1
Berendsen, H.J.C.2
Van Buuren, A.R.3
Apol, M.E.F.4
Meulenhoff, P.J.5
Sijbers, A.L.T.M.6
-
56
-
-
0003544051
-
-
Biomos. Zurich, Switzerland
-
van Gunsteren, W. F., S. R. Billeter, A. A. Eising, P. H. Hunenberger, P. Kuger, A. E. Mark, W. R. P. Scott, and I. G. Tironi. 1996. The GROMOS96 Manual and User Guide. Biomos. Zurich, Switzerland.
-
(1996)
The GROMOS96 Manual and User Guide
-
-
Van Gunsteren, W.F.1
Billeter, S.R.2
Eising, A.A.3
Hunenberger, P.H.4
Kuger, P.5
Mark, A.E.6
Scott, W.R.P.7
Tironi, I.G.8
-
57
-
-
0036214485
-
The calculated in vitro and in vivo chlorophyll a absorption bandshape
-
Zucchelli, G., R. C. Jennings, F. M. Garlaschi, G. Cinque, R. Bassi, and O. Cremonesi. 2002. The calculated in vitro and in vivo chlorophyll a absorption bandshape. Biophys. J. 82:378-390.
-
(2002)
Biophys. J.
, vol.82
, pp. 378-390
-
-
Zucchelli, G.1
Jennings, R.C.2
Garlaschi, F.M.3
Cinque, G.4
Bassi, R.5
Cremonesi, O.6
|