-
1
-
-
0032548142
-
Three-dimensional structure of the plant photosystem II reaction centre at 8 A resolution
-
Rhee KH, Morris EP, Barber J, Kuhlbrandt W (1998) Three-dimensional structure of the plant photosystem II reaction centre at 8 A resolution. Nature 396(6708):283-286
-
(1998)
Nature
, vol.396
, Issue.6708
, pp. 283-286
-
-
Rhee, K.H.1
Morris, E.P.2
Barber, J.3
Kuhlbrandt, W.4
-
2
-
-
30744445692
-
Towards complete cofactor arrangement in the 3.0A resolution structure of photosystem II
-
Loll B, Kern J, Saenger W, Zouni A, Biesiadka J (2005) Towards complete cofactor arrangement in the 3.0A resolution structure of photosystem II. Nature 438(7070):1040-1044
-
(2005)
Nature
, vol.438
, Issue.7070
, pp. 1040-1044
-
-
Loll, B.1
Kern, J.2
Saenger, W.3
Zouni, A.4
Biesiadka, J.5
-
3
-
-
8144227878
-
Crystal structure of cyanobacterial photosystem II at 3.2 angstrom resolution: A closer look at the Mn-cluster
-
Biesiadka J, Loll B, Kern J, Irrgang KD, Zouni A (2004) Crystal structure of cyanobacterial photosystem II at 3.2 angstrom resolution: A closer look at the Mn-cluster. Phys Chem Chem Phys 6(20):4733-4736
-
(2004)
Phys Chem Chem Phys
, vol.6
, Issue.20
, pp. 4733-4736
-
-
Biesiadka, J.1
Loll, B.2
Kern, J.3
Irrgang, K.D.4
Zouni, A.5
-
4
-
-
1642331709
-
Architecture of the photosynthetic oxygen-evolving center
-
Ferreira KN, Iverson TM, Maghlaoui K, Barber J, Iwata S (2004) Architecture of the photosynthetic oxygen-evolving center. Science 303(5665):1831-1838
-
(2004)
Science
, vol.303
, Issue.5665
, pp. 1831-1838
-
-
Ferreira, K.N.1
Iverson, T.M.2
Maghlaoui, K.3
Barber, J.4
Iwata, S.5
-
5
-
-
0037422557
-
Crystal structure of oxygen-evolving photosystem II from Thermosynechococcus vulcanus at 3.7-A resolution
-
Kamiya N, Shen JR (2003) Crystal structure of oxygen-evolving photosystem II from Thermosynechococcus vulcanus at 3.7-A resolution. Proc Natl Acad Sci USA 100(1):98-103
-
(2003)
Proc Natl Acad Sci USA
, vol.100
, Issue.1
, pp. 98-103
-
-
Kamiya, N.1
Shen, J.R.2
-
6
-
-
0035825682
-
Crystal structure of photosystem II from Synechococcus elongates at 3.8 Å resolution
-
Zouni A, Witt H-T, Kern J, Fromme P, Krauss N, Saenger W, Orth P (2001) Crystal structure of photosystem II from Synechococcus elongates at 3.8 Å resolution. Nature 409:739-743
-
(2001)
Nature
, vol.409
, pp. 739-743
-
-
Zouni, A.1
Witt, H.-T.2
Kern, J.3
Fromme, P.4
Krauss, N.5
Saenger, W.6
Orth, P.7
-
7
-
-
0029002688
-
A multimer model for P680, the primary electron donor of Photosystem II
-
Durrant JR, Klug DR, Kwa SL, van Grondelle R, Porter G, Dekker JP (1995) A multimer model for P680, the primary electron donor of Photosystem II. Proc Natl Acad Sci USA 92(11):4798-4802
-
(1995)
Proc Natl Acad Sci USA
, vol.92
, Issue.11
, pp. 4798-4802
-
-
Durrant, J.R.1
Klug, D.R.2
Kwa, S.L.3
van Grondelle, R.4
Porter, G.5
Dekker, J.P.6
-
8
-
-
33646154454
-
A protein dynamics study of Photosystem II: The effects of protein conformation on reaction center function
-
Vasil'ev S, Bruce D (2006) A protein dynamics study of Photosystem II: the effects of protein conformation on reaction center function. Biophys J 90(9):3062-3073
-
(2006)
Biophys J
, vol.90
, Issue.9
, pp. 3062-3073
-
-
Vasil'ev, S.1
Bruce, D.2
-
9
-
-
26444596128
-
Force field development on pigments of photosystem 2 reaction centre
-
Palencar P, Vacha F, Kuty M (2005) Force field development on pigments of photosystem 2 reaction centre. Photosynthetica 43(3):417-420
-
(2005)
Photosynthetica
, vol.43
, Issue.3
, pp. 417-420
-
-
Palencar, P.1
Vacha, F.2
Kuty, M.3
-
10
-
-
21244494763
-
Theory of optical spectra of photosystem II reaction centers: Location of the triplet state and the identity of the primary electron donor
-
Raszewski G, Saenger W, Renger T (2005) Theory of optical spectra of photosystem II reaction centers: Location of the triplet state and the identity of the primary electron donor. Biophys J 88(2):986-998
-
(2005)
Biophys J
, vol.88
, Issue.2
, pp. 986-998
-
-
Raszewski, G.1
Saenger, W.2
Renger, T.3
-
11
-
-
23444437817
-
Evidence for localization of accumulated chlorophyll cation on the D1-accessory chlorophyll in the reaction centre of Photosystem II
-
Vacha F, Psencik J, Kuty M, Durchan M, Siffel P (2005) Evidence for localization of accumulated chlorophyll cation on the D1-accessory chlorophyll in the reaction centre of Photosystem II. Photosynth Res 84:297-302
-
(2005)
Photosynth Res
, vol.84
, pp. 297-302
-
-
Vacha, F.1
Psencik, J.2
Kuty, M.3
Durchan, M.4
Siffel, P.5
-
12
-
-
0242322484
-
Exciton theory for supramolecular chlorosomal aggregates: 1. Aggregate size dependence of the linear spectra
-
Prokhorenko VI, Steensgaard DB, Holzwarth AR (2003) Exciton theory for supramolecular chlorosomal aggregates: 1. Aggregate size dependence of the linear spectra. Biophys J 85(5):3173-3186
-
(2003)
Biophys J
, vol.85
, Issue.5
, pp. 3173-3186
-
-
Prokhorenko, V.I.1
Steensgaard, D.B.2
Holzwarth, A.R.3
-
13
-
-
36749116146
-
Monopole effects on electronic excitation interactions between large molecules. I. Application to energy transfer in chlorophylls
-
Chang JC (1977) Monopole effects on electronic excitation interactions between large molecules. I. Application to energy transfer in chlorophylls. J Chem Phys 67(9):3901-3909
-
(1977)
J Chem Phys
, vol.67
, Issue.9
, pp. 3901-3909
-
-
Chang, J.C.1
-
14
-
-
0037417876
-
A quantitative structure-function relationship for the Photosystern II reaction center: Supermolecular behavior in natural photosynthesis
-
Barter LMC, Durrant JR, Klug DR (2003) A quantitative structure-function relationship for the Photosystern II reaction center: Supermolecular behavior in natural photosynthesis. Proc Natl Acad Sci USA 100:946-951
-
(2003)
Proc Natl Acad Sci USA
, vol.100
, pp. 946-951
-
-
Barter, L.M.C.1
Durrant, J.R.2
Klug, D.R.3
-
15
-
-
0037304681
-
Excitation energy transfer dynamics and excited-state structure in chlorosomes of chlorobium phaeobacteroides
-
Psencik J, Ma YZ, Arellano JB, Hala J, Gillbro T (2003) Excitation energy transfer dynamics and excited-state structure in chlorosomes of chlorobium phaeobacteroides. Biophys J 84(2):1161-1179
-
(2003)
Biophys J
, vol.84
, Issue.2
, pp. 1161-1179
-
-
Psencik, J.1
Ma, Y.Z.2
Arellano, J.B.3
Hala, J.4
Gillbro, T.5
-
16
-
-
0037194957
-
An excitonic pentamer model for the core Q(y) states of the isolated photosystem II reaction center
-
Jankowiak R, Hayes JM, Small GJ (2002) An excitonic pentamer model for the core Q(y) states of the isolated photosystem II reaction center. J Phys Chem B 106(34):8803-8814
-
(2002)
J Phys Chem B
, vol.106
, Issue.34
, pp. 8803-8814
-
-
Jankowiak, R.1
Hayes, J.M.2
Small, G.J.3
-
17
-
-
0037149164
-
Photophysical properties of PS-2 reaction centers and a discrepancy in exciton relaxation times
-
Renger T, Marcus RA (2002) Photophysical properties of PS-2 reaction centers and a discrepancy in exciton relaxation times. J Phys Chem B 106(7):1809-1819
-
(2002)
J Phys Chem B
, vol.106
, Issue.7
, pp. 1809-1819
-
-
Renger, T.1
Marcus, R.A.2
-
18
-
-
0033679186
-
Primary charge separation in Photosystem II
-
Dekker JP, Van Grondelle R (2000) Primary charge separation in Photosystem II. Photosynth Res 63(3):195-208
-
(2000)
Photosynth Res
, vol.63
, Issue.3
, pp. 195-208
-
-
Dekker, J.P.1
Van Grondelle, R.2
-
19
-
-
0000680944
-
Theoretical interpretation of antenna spectra
-
In: Scheer H (ed) CRC, Bocca Raton, FL
-
Pearlstein RM (1991) Theoretical interpretation of antenna spectra. In: Scheer H (ed) Chlorophylls. CRC, Bocca Raton, FL, pp 1047-1078
-
(1991)
Chlorophylls
, pp. 1047-1078
-
-
Pearlstein, R.M.1
-
20
-
-
0036649659
-
Excitonic interactions in the reaction centre of Photosystem II studied by using circular dichroism
-
Vacha F, Durchan M, Siffel P (2002) Excitonic interactions in the reaction centre of Photosystem II studied by using circular dichroism. Biochim Biophys Acta 1554:147-152
-
(2002)
Biochim Biophys Acta
, vol.1554
, pp. 147-152
-
-
Vacha, F.1
Durchan, M.2
Siffel, P.3
-
21
-
-
0000898578
-
Primaryrocesses and structure of the photosystem II reaction center. 5. Modeling of the fluorescence kinetics of the D1-D2-cyt-b559 complex at 77 K
-
Konermann L, Gatzen G, Holzwarth AR (1997) Primaryrocesses and structure of the photosystem II reaction center. 5. Modeling of the fluorescence kinetics of the D1-D2-cyt-b559 complex at 77 K. J Phys Chem B 101:2933-2944
-
(1997)
J Phys Chem B
, vol.101
, pp. 2933-2944
-
-
Konermann, L.1
Gatzen, G.2
Holzwarth, A.R.3
-
22
-
-
10344223464
-
Making optimal use of empirical energy functions: Force-field parameterization in crystal space
-
Krieger E, Darden T, Nabuurs SB, Finkelstein A, Vriend G (2004) Making optimal use of empirical energy functions: Force-field parameterization in crystal space. Proteins 57(4):678-683
-
(2004)
Proteins
, vol.57
, Issue.4
, pp. 678-683
-
-
Krieger, E.1
Darden, T.2
Nabuurs, S.B.3
Finkelstein, A.4
Vriend, G.5
-
23
-
-
67649464109
-
-
available via
-
Yasara Biosciences, available via http://www.yasara.org/index.html
-
Yasara Biosciences
-
-
-
24
-
-
67649502762
-
-
ModLoop server available via
-
ModLoop server, available via http://alto.compbio.ucsf.edu/modloop/ modloop.html
-
-
-
-
25
-
-
0029011701
-
A 2nd generation force-field for the simulation of proteins, nucleic acids, and organic-molecules
-
Cornell WD, Cieplak P, Bayly CI, Gould IR, Merz KM, Ferguson DM, Spellmeyer DC, Fox T, Caldwell JW, Kollman PA (1995) A 2nd generation force-field for the simulation of proteins, nucleic acids, and organic-molecules. J Am Chem Soc 117(19):5179-5197
-
(1995)
J Am Chem Soc
, vol.117
, Issue.19
, pp. 5179-5197
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.R.4
Merz, K.M.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
26
-
-
0001398008
-
How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?
-
Wang JM, Cieplak P, Kollman PA (2000) How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules? J Comp Chem 21(12):1049-1074
-
(2000)
J Comp Chem
, vol.21
, Issue.12
, pp. 1049-1074
-
-
Wang, J.M.1
Cieplak, P.2
Kollman, P.A.3
-
27
-
-
0041784950
-
All-atom empirical potential for molecular modeling and dynamics studies of proteins
-
MacKerell AD, Bashford D, Bellott M, Dunbrack RL, Evanseck JD, Field MJ, Fischer S, Gao J, Guo H, Ha S, Joseph-McCarthy D, Kuchnir L, Kuczera K, Lau FTK, Mattos C, Michnick S, Ngo T, Nguyen DT, Prodhom B, Reiher WE, Roux B, Schlenkrich M, Smith JC, Stote R, Straub J, Watanabe M, Wiorkiewicz-Kuczera J, Yin D, Karplus M (1998) All-atom empirical potential for molecular modeling and dynamics studies of proteins. J Phys Chem B (102):3586-3616 3586-3616
-
(1998)
J Phys Chem B
, Issue.102
, pp. 3586-3616
-
-
MacKerell, A.D.1
Bashford, D.2
Bellott, M.3
Dunbrack, R.L.4
Evanseck, J.D.5
Field, M.J.6
Fischer, S.7
Gao, J.8
Guo, H.9
Ha, S.10
Joseph-McCarthy, D.11
Kuchnir, L.12
Kuczera, K.13
Lau, F.T.K.14
Mattos, C.15
Michnick, S.16
Ngo, T.17
Nguyen, D.T.18
Prodhom, B.19
Reiher, W.E.20
Roux, B.21
Schlenkrich, M.22
Smith, J.C.23
Stote, R.24
Straub, J.25
Watanabe, M.26
Wiorkiewicz-Kuczera, J.27
Yin, D.28
Karplus, M.29
more..
-
29
-
-
0037472743
-
An ab initio force field for the cofactors of bacterial photosynthesis
-
Ceccarelli M, Procacci P, Marchi M (2003) An ab initio force field for the cofactors of bacterial photosynthesis. J Comput Chem 24(2):129-142
-
(2003)
J Comput Chem
, vol.24
, Issue.2
, pp. 129-142
-
-
Ceccarelli, M.1
Procacci, P.2
Marchi, M.3
-
30
-
-
2342430094
-
New developments in molecular orbital theory
-
Roothaan CCJ (1951) New developments in molecular orbital theory. Rev Mod Phys 23(2):69-89
-
(1951)
Rev Mod Phys
, vol.23
, Issue.2
, pp. 69-89
-
-
Roothaan, C.C.J.1
-
31
-
-
3042524904
-
A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: The RESP model
-
Bayly CI, Cieplak P, Cornell WD, Kollman PA (1993) A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: The RESP model. J Phys Chem 97(40):10269-10280
-
(1993)
J Phys Chem
, vol.97
, Issue.40
, pp. 10269-10280
-
-
Bayly, C.I.1
Cieplak, P.2
Cornell, W.D.3
Kollman, P.A.4
-
32
-
-
33745916453
-
Structural investigation of syringomycin-E using molecular dynamics simulation and NMR
-
Matyus E, Monticelli L, Kover KE, Xu Z, Blasko K, Fidy J, Tieleman DP (2006) Structural investigation of syringomycin-E using molecular dynamics simulation and NMR. Eur Biophys J 35(6):459-467
-
(2006)
Eur Biophys J
, vol.35
, Issue.6
, pp. 459-467
-
-
Matyus, E.1
Monticelli, L.2
Kover, K.E.3
Xu, Z.4
Blasko, K.5
Fidy, J.6
Tieleman, D.P.7
-
33
-
-
3142747401
-
Direct simulation of transmembrane helix association: Role of asparagines
-
Stockner T, Ash WL, MacCallum JL, Tieleman DP (2004) Direct simulation of transmembrane helix association: Role of asparagines. Biophys J 87(3):1650-1656
-
(2004)
Biophys J
, vol.87
, Issue.3
, pp. 1650-1656
-
-
Stockner, T.1
Ash, W.L.2
MacCallum, J.L.3
Tieleman, D.P.4
-
34
-
-
0043167827
-
Molecular dynamics simulations of pentapeptides at interfaces: Salt bridge and cation-pi interactions
-
Aliste MP, MacCallum JL, Tieleman DP (2003) Molecular dynamics simulations of pentapeptides at interfaces: Salt bridge and cation-pi interactions. Biochemistry 42(30):8976-8987
-
(2003)
Biochemistry
, vol.42
, Issue.30
, pp. 8976-8987
-
-
Aliste, M.P.1
MacCallum, J.L.2
Tieleman, D.P.3
-
35
-
-
0035132984
-
Voltage-dependent insertion of alamethicin at phospholipid/water and octane/water interfaces
-
Tieleman DP, Berendsen HJ, Sansom MS (2001) Voltage-dependent insertion of alamethicin at phospholipid/water and octane/water interfaces. Biophys J 80(1):331-346
-
(2001)
Biophys J
, vol.80
, Issue.1
, pp. 331-346
-
-
Tieleman, D.P.1
Berendsen, H.J.2
Sansom, M.S.3
-
36
-
-
33748896195
-
Computer simulations of transport through membranes: Passive diffusion, pores, channels and transporters
-
Tieleman DP (2006) Computer simulations of transport through membranes: passive diffusion, pores, channels and transporters. Clin Exp Pharmacol Physiol 33(10):893-903
-
(2006)
Clin Exp Pharmacol Physiol
, vol.33
, Issue.10
, pp. 893-903
-
-
Tieleman, D.P.1
-
37
-
-
30744448428
-
Computer simulation of the distribution of hexane in a lipid bilayer: Spatially resolved free energy, entropy, and enthalpy profiles
-
MacCallum JL, Tieleman DP (2006) Computer simulation of the distribution of hexane in a lipid bilayer: Spatially resolved free energy, entropy, and enthalpy profiles. J Am Chem Soc 128(1):125-130
-
(2006)
J Am Chem Soc
, vol.128
, Issue.1
, pp. 125-130
-
-
MacCallum, J.L.1
Tieleman, D.P.2
-
38
-
-
49349129417
-
The analysis of circular dichroism of biomolecules
-
Bayley PM (1973) The analysis of circular dichroism of biomolecules. Prog Biophys 27:1-76
-
(1973)
Prog Biophys
, vol.27
, pp. 1-76
-
-
Bayley, P.M.1
-
39
-
-
0001659493
-
Exciton states and relaxation in molecular aggregates: Numerical study of photosynthetic light harvesting
-
Pullerits T (2000) Exciton states and relaxation in molecular aggregates: Numerical study of photosynthetic light harvesting. J Chin Chem Soc 47:773-784
-
(2000)
J Chin Chem Soc
, vol.47
, pp. 773-784
-
-
Pullerits, T.1
-
40
-
-
0034497568
-
Primary processes and structure of the photosystem II reaction center: A photon echo study
-
Prokhorenko VI, Holzwarth AR (2000) Primary processes and structure of the photosystem II reaction center: A photon echo study. J Phys Chem B 104(48):11563-11578
-
(2000)
J Phys Chem B
, vol.104
, Issue.48
, pp. 11563-11578
-
-
Prokhorenko, V.I.1
Holzwarth, A.R.2
-
41
-
-
0026008236
-
Electrochromism of chlorophyll-a monomer and special-pair dimer
-
Krawczyk S (1991) Electrochromism of chlorophyll-a monomer and special-pair dimer. Biochim Biophys Acta 1056(1):64-70
-
(1991)
Biochim Biophys Acta
, vol.1056
, Issue.1
, pp. 64-70
-
-
Krawczyk, S.1
-
42
-
-
0030454380
-
Structure-based calculations of the optical spectra of the LH2 bacteriochlorophyll-protein complex from Rhodopseudomonas acidophila
-
Sauer K, Cogdell RJ, Prince SM, Freer A, Isaacs NW, Scheer H (1996) Structure-based calculations of the optical spectra of the LH2 bacteriochlorophyll-protein complex from Rhodopseudomonas acidophila. Photochem Photobiol 64(3):564-576
-
(1996)
Photochem Photobiol
, vol.64
, Issue.3
, pp. 564-576
-
-
Sauer, K.1
Cogdell, R.J.2
Prince, S.M.3
Freer, A.4
Isaacs, N.W.5
Scheer, H.6
-
43
-
-
33845281185
-
Spectroscopic properties of photosynthetic reaction centers. I. Theory
-
Warshel A, Parson WW (1987) Spectroscopic properties of photosynthetic reaction centers. I. Theory. J Am Chem Soc 109:6143-6152
-
(1987)
J Am Chem Soc
, vol.109
, pp. 6143-6152
-
-
Warshel, A.1
Parson, W.W.2
-
44
-
-
33845282026
-
Spectroscopic properties of photosynthetic reaction centers. II. Application of the theory to Rhodopseudomonas viridis
-
Parson WW, Warshel A (1987) Spectroscopic properties of photosynthetic reaction centers. II. Application of the theory to Rhodopseudomonas viridis. J Am Chem Soc 109:6152-6163
-
(1987)
J Am Chem Soc
, vol.109
, pp. 6152-6163
-
-
Parson, W.W.1
Warshel, A.2
-
45
-
-
10444229724
-
Charge-transfer interactions - Their manifestations in electroabsorption spectra
-
Petelenz P (2004) Charge-transfer interactions - their manifestations in electroabsorption spectra. J Lumin 110(4):325-331
-
(2004)
J Lumin
, vol.110
, Issue.4
, pp. 325-331
-
-
Petelenz, P.1
-
46
-
-
0030027168
-
Analysis of the absorption spectrum of photosystem II reaction centers: Temperature dependence, pigment assignment, and inhomogeneous broadening
-
Konermann L, Holzwarth AR (1996) Analysis of the absorption spectrum of photosystem II reaction centers: Temperature dependence, pigment assignment, and inhomogeneous broadening. Biochemistry 35(3):829-842
-
(1996)
Biochemistry
, vol.35
, Issue.3
, pp. 829-842
-
-
Konermann, L.1
Holzwarth, A.R.2
-
47
-
-
67649494173
-
-
MATLAB
-
MATLAB, http://www.mathworks.com/products/matlab/requirements.html
-
-
-
-
48
-
-
0342305478
-
-
Gaussian, Pittsburgh
-
Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery JA, Stratmann RE, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson GA, Ayala PY, Cui Q, Morokuma K, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz JV, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Gonzalez C, Challacombe M, Gill PMW, Johnson BG, Chen W, Wong MW, Andres JL, Head-Gordon M, Replogle ES, Pople JA (1998) Gausian 98. Gaussian, Pittsburgh
-
(1998)
Gausian 98
-
-
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.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
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
49
-
-
67649508618
-
-
AMBER 7, University of California, San Francisco
-
Case DA, Pearlman DA, Caldwell JW, Cheatham TE 3rd, Wang J, Ross WS, Simmerling CL, Darden TA, Merz KM, Stanton RV, Cheng AL, Vincent JJ, Crowley M, Tsui V, Gohlke H, Radmer RJ, Duan Y, Pitera J, Massova I, Seibel GL, Singh UC, Weiner PK, Kollman PA (2002) AMBER 7, University of California, San Francisco
-
(2002)
-
-
Case, D.A.1
Pearlman, D.A.2
Caldwell, J.W.3
Cheatham III, T.E.4
Wang, J.5
Ross, W.S.6
Simmerling, C.L.7
Darden, T.A.8
Merz, K.M.9
Stanton, R.V.10
Cheng, A.L.11
Vincent, J.J.12
Crowley, M.13
Tsui, V.14
Gohlke, H.15
Radmer, R.J.16
Duan, Y.17
Pitera, J.18
Massova, I.19
Seibel, G.L.20
Singh, U.C.21
Weiner, P.K.22
Kollman, P.A.23
more..
-
50
-
-
0025398721
-
WHAT IF: A molecular modeling and drug design program
-
Vriend G (1990) WHAT IF: A molecular modeling and drug design program. J Mol Graph 8(1):52-56
-
(1990)
J Mol Graph
, vol.8
, Issue.1
, pp. 52-56
-
-
Vriend, G.1
-
52
-
-
0035789518
-
GROMACS: A package for molecular simulation and trajectory analysis
-
Lindahl E, Hess B, van der Spoel (2001) GROMACS: A package for molecular simulation and trajectory analysis. J Mol Model 7:306-317
-
(2001)
J Mol Model
, vol.7
, pp. 306-317
-
-
Lindahl, E.1
Hess, B.2
van der Spoel3
-
53
-
-
33645961739
-
A smooth particle mesh Ewald method
-
Essmann U, Perera L, Berkowitz ML, Darden T, Lee H, Pedersen LG (1995) A smooth particle mesh Ewald method. J Chem Phys 103(19):8577-8593
-
(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
-
54
-
-
33750587438
-
Molecular dynamics with coupling to an external bath
-
Berendsen HJC, Postma JPM, vanGunsteren WF, DiNola A, Haak JR (1984) Molecular dynamics with coupling to an external bath. J Chem Phys 81(8):3684-3690
-
(1984)
J Chem Phys
, vol.81
, Issue.8
, pp. 3684-3690
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
vanGunsteren, W.F.3
DiNola, A.4
Haak, J.R.5
|