-
1
-
-
0031438285
-
A computer perspective of membranes: Molecular dynamics studies of lipid bilayer systems
-
Tieleman DP, Marrink SJ, Berendsen HJC. A computer perspective of membranes: Molecular dynamics studies of lipid bilayer systems. Biochim. Biophys. Acta 1997; 1331: 235-70.
-
(1997)
Biochim. Biophys. Acta
, vol.1331
, pp. 235-270
-
-
Tieleman, D.P.1
Marrink, S.J.2
Berendsen, H.J.C.3
-
4
-
-
7244251461
-
Control of ion selectivity in potassium channels by electrostatic and dynamic properties of carbonyl ligands
-
Noskov SY, Berneche S, Roux B. Control of ion selectivity in potassium channels by electrostatic and dynamic properties of carbonyl ligands. Nature 2004; 431: 830-4.
-
(2004)
Nature
, vol.431
, pp. 830-834
-
-
Noskov, S.Y.1
Berneche, S.2
Roux, B.3
-
5
-
-
0242405514
-
Ion channel gating: Insights via molecular simulations
-
Beckstein O, Biggin PC, Bond P et al. Ion channel gating: Insights via molecular simulations. FEBS Lett. 2003; 555: 85-90.
-
(2003)
FEBS Lett.
, vol.555
, pp. 85-90
-
-
Beckstein, O.1
Biggin, P.C.2
Bond, P.3
-
7
-
-
0034690250
-
Ion permeation mechanism of the potassium channel
-
Aqvist J, Luzhkov V. Ion permeation mechanism of the potassium channel. Nature 2000; 404: 881-4.
-
(2000)
Nature
, vol.404
, pp. 881-884
-
-
Aqvist, J.1
Luzhkov, V.2
-
8
-
-
0037134267
-
Control of the selectivity of the aquaporin water channel family by global orientational tuning
-
Tajkhorshid E, Nollert P, Jensen MO et al. Control of the selectivity of the aquaporin water channel family by global orientational tuning. Science 2002; 296: 525-30.
-
(2002)
Science
, vol.296
, pp. 525-530
-
-
Tajkhorshid, E.1
Nollert, P.2
Jensen, M.O.3
-
9
-
-
0035861454
-
Water permeation across biological membranes: Mechanism and dynamics of aquaporin-1 and GlpF
-
de Groot BL, Grubmuller H. Water permeation across biological membranes: Mechanism and dynamics of aquaporin-1 and GlpF. Science 2001; 294: 2353-7.
-
(2001)
Science
, vol.294
, pp. 2353-2357
-
-
De Groot, B.L.1
Grubmuller, H.2
-
11
-
-
11044225076
-
Insights into the molecular mechanism of membrane fusion from simulation: Evidence for the association of splayed tails
-
Stevens MJ, Hoh J, Woolf TB. Insights into the molecular mechanism of membrane fusion from simulation: Evidence for the association of splayed tails. Phys. Rev. Lett. 2003; 91: 188 102.
-
(2003)
Phys. Rev. Lett.
, vol.91
, pp. 188102
-
-
Stevens, M.J.1
Hoh, J.2
Woolf, T.B.3
-
12
-
-
0042193019
-
The mechanism of vesicle fusion as revealed by molecular dynamics simulations of small phospholipid vesicles
-
Marrink SJ, Mark AE. The mechanism of vesicle fusion as revealed by molecular dynamics simulations of small phospholipid vesicles. J. Am. Chem. Soc. 2003; 125: 11 144-5.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 11144-11145
-
-
Marrink, S.J.1
Mark, A.E.2
-
13
-
-
4544356700
-
The molecular basis of electroporation
-
Tieleman DP. The molecular basis of electroporation. BMC Biochem. 2004; 5: 10.
-
(2004)
BMC Biochem.
, vol.5
, pp. 10
-
-
Tieleman, D.P.1
-
14
-
-
0038514127
-
Simulation of pore formation in lipid bilayers by mechanical stress and electric fields
-
Tieleman DP, Leontiadou H, Mark AE, Marrink SJ. Simulation of pore formation in lipid bilayers by mechanical stress and electric fields. J. Am. Chem. Soc. 2003; 125: 6382-3.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 6382-6383
-
-
Tieleman, D.P.1
Leontiadou, H.2
Mark, A.E.3
Marrink, S.J.4
-
15
-
-
7244240754
-
Conformational transitions induced by the binding of MgATP to the vitamin B12 ATP binding cassette transporter, BtuCD
-
Oloo EO, Tieleman DP. Conformational transitions induced by the binding of MgATP to the vitamin B12 ATP binding cassette transporter, BtuCD. J. Biol. Chem. 2004; 279: 45 013-19.
-
(2004)
J. Biol. Chem.
, vol.279
, pp. 45013-45019
-
-
Oloo, E.O.1
Tieleman, D.P.2
-
16
-
-
23044476985
-
Molecular dynamics simulations of proteins in lipid bilayers
-
Gumbart J, Wang Y, Aksimentiev A, Tajkhorshid E, Schulten K. Molecular dynamics simulations of proteins in lipid bilayers. Curr. Opin. Struct. Biol. 2005; 15: 423-31.
-
(2005)
Curr. Opin. Struct. Biol.
, vol.15
, pp. 423-431
-
-
Gumbart, J.1
Wang, Y.2
Aksimentiev, A.3
Tajkhorshid, E.4
Schulten, K.5
-
17
-
-
2142813682
-
Computer-simulation of molecular-dynamics: Methodology, applications, and perspectives in chemistry
-
Van Gunsteren WF, Berendsen HJC. Computer-simulation of molecular-dynamics: Methodology, applications, and perspectives in chemistry. Angew. Chem. Int. Ed. Engl. 1990; 29: 992-1023.
-
(1990)
Angew. Chem. Int. Ed. Engl.
, vol.29
, pp. 992-1023
-
-
Van Gunsteren, W.F.1
Berendsen, H.J.C.2
-
18
-
-
0036725277
-
Molecular dynamics simulations of biomolecules
-
Karplus M, Mccammon JA. Molecular dynamics simulations of biomolecules. Nat. Struct. Biol. 2002; 9: 646-52.
-
(2002)
Nat. Struct. Biol.
, vol.9
, pp. 646-652
-
-
Karplus, M.1
Mccammon, J.A.2
-
21
-
-
0242443693
-
Force fields for protein simulations
-
Ponder JW, Case DA. Force fields for protein simulations. Adv. Protein Chem. 2003; 66: 27-85.
-
(2003)
Adv. Protein Chem.
, vol.66
, pp. 27-85
-
-
Ponder, J.W.1
Case, D.A.2
-
22
-
-
7044239742
-
Free-energy calculations: Applications to chemical and biochemical phenomena
-
Kollman P. Free-energy calculations: Applications to chemical and biochemical phenomena. Chem. Rev. 1993; 93: 2395-417.
-
(1993)
Chem. Rev.
, vol.93
, pp. 2395-2417
-
-
Kollman, P.1
-
25
-
-
0002373738
-
Algorithmic challenges in computational molecular biophysics
-
Schlick T, Skeel RD, Brunger AT et al. Algorithmic challenges in computational molecular biophysics. J. Comp. Phys. 1999; 151: 9-48.
-
(1999)
J. Comp. Phys.
, vol.151
, pp. 9-48
-
-
Schlick, T.1
Skeel, R.D.2
Brunger, A.T.3
-
26
-
-
33751158845
-
Simulation of water transport through a lipid membrane
-
Marrink SJ, Berendsen HJC. Simulation of water transport through a lipid membrane. J. Phys. Chem. 1994; 98: 4155-68.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 4155-4168
-
-
Marrink, S.J.1
Berendsen, H.J.C.2
-
27
-
-
3042813458
-
Computer simulation of small molecule permeation across a lipid bilayer: Dependence on bilayer properties and solute volume, size, and cross-sectional area
-
Bemporad D, Luttmann C, Essex JW. Computer simulation of small molecule permeation across a lipid bilayer: Dependence on bilayer properties and solute volume, size, and cross-sectional area. Biophys. J. 2004; 87: 1-13.
-
(2004)
Biophys. J.
, vol.87
, pp. 1-13
-
-
Bemporad, D.1
Luttmann, C.2
Essex, J.W.3
-
28
-
-
0034738135
-
3 in a lipid bilayer with a cavity insertion variant of the Widom method
-
3 in a lipid bilayer with a cavity insertion variant of the Widom method. J. Am. Chem. Soc. 2000; 122:5125-31.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 5125-5131
-
-
Jedlovszky, P.1
Mezei, M.2
-
29
-
-
0029738872
-
Experimentally determined hydrophobicity scale for proteins at membrane interfaces
-
Wimley CW, White SH. Experimentally determined hydrophobicity scale for proteins at membrane interfaces. Nat. Struct. Biol. 1996; 3: 842-8.
-
(1996)
Nat. Struct. Biol.
, vol.3
, pp. 842-848
-
-
Wimley, C.W.1
White, S.H.2
-
30
-
-
7044222080
-
Large scale molecular dynamics simulations of lipid-drug interactions
-
Senechal D (ed.). 11-14 May 2003, Québec, Canada. NRC Research Press, Ottawa
-
Maccallum JL, Mukhopadhyay P, Luo H, Tieleman DP. Large scale molecular dynamics simulations of lipid-drug interactions. In: Senechal D (ed.). Proceedings of the 17th Annual International Symposium on High Performance Computing Systems and Applications and the OSCAR Symposium, 11-14 May 2003, Québec, Canada. NRC Research Press, Ottawa. 2003; 115-22.
-
(2003)
Proceedings of the 17th Annual International Symposium on High Performance Computing Systems and Applications and the OSCAR Symposium
, pp. 115-122
-
-
Maccallum, J.L.1
Mukhopadhyay, P.2
Luo, H.3
Tieleman, D.P.4
-
31
-
-
18844455490
-
2H-NMR study and molecular dynamics simulation of the location, alignment, and mobility of pyrene in POPC bilayers
-
Hoff B, Strandberg E, Ulrich AS, Tieleman DP, Posten H. 2H-NMR study and molecular dynamics simulation of the location, alignment, and mobility of pyrene in POPC bilayers. Biophys. J. 2005; 88: 1818-27.
-
(2005)
Biophys. J.
, vol.88
, pp. 1818-1827
-
-
Hoff, B.1
Strandberg, E.2
Ulrich, A.S.3
Tieleman, D.P.4
Posten, H.5
-
32
-
-
30744448428
-
Computer simulation of the distribution of hexane in a lipid bilayer: Spatially resolved free energy, entropy, and enthalpy profiles
-
MacCallum JL, Tieleman DP. Computer simulation of the distribution of hexane in a lipid bilayer: Spatially resolved free energy, entropy, and enthalpy profiles. J. Am. Chem. Soc. 2006; 128: 125-30.
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 125-130
-
-
MacCallum, J.L.1
Tieleman, D.P.2
-
33
-
-
23844440632
-
Orientation and dynamics of benzyl alcohol and benzyl alkyl ethers dissolved in nematic lyotropic liquid crystals. H-2 NMR and molecular dynamics simulations
-
Ahumada H, Montecinos R, Tieleman DP, Weiss-Lopez BE. Orientation and dynamics of benzyl alcohol and benzyl alkyl ethers dissolved in nematic lyotropic liquid crystals. H-2 NMR and molecular dynamics simulations. J. Phys. Chem. A 2005; 109: 6644-51.
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 6644-6651
-
-
Ahumada, H.1
Montecinos, R.2
Tieleman, D.P.3
Weiss-Lopez, B.E.4
-
35
-
-
0019496872
-
Location of hexane in lipid bilayers determined by neutron diffraction
-
White SH, King GI, Cain JE. Location of hexane in lipid bilayers determined by neutron diffraction. Nature 1981; 290: 161-3.
-
(1981)
Nature
, vol.290
, pp. 161-163
-
-
White, S.H.1
King, G.I.2
Cain, J.E.3
-
37
-
-
0344465279
-
Electroporation of biological membranes from multicellular to nano scales
-
Weaver JC. Electroporation of biological membranes from multicellular to nano scales. IEEE Trans. Dielectr. Electr. Insul. 2003; 10: 754-68.
-
(2003)
IEEE Trans. Dielectr. Electr. Insul.
, vol.10
, pp. 754-768
-
-
Weaver, J.C.1
-
38
-
-
29344446842
-
Pore formation coupled to ion transport through lipid membranes as induced by transmembrane ionic charge imbalance: Atomistic molecular dynamics study
-
Gurtovenko AA, Vattulainen I. Pore formation coupled to ion transport through lipid membranes as induced by transmembrane ionic charge imbalance: Atomistic molecular dynamics study. J. Am. Chem. Soc. 2005; 127: 17 570-1.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 17570-17571
-
-
Gurtovenko, A.A.1
Vattulainen, I.2
-
39
-
-
28844469977
-
Simulations of nanopore formation and phosphatidylserine externalization in lipid membranes subjected to a high-intensity, ultrashort electric pulse
-
Hu Q, Joshi RP, Schoenbach KH. Simulations of nanopore formation and phosphatidylserine externalization in lipid membranes subjected to a high-intensity, ultrashort electric pulse. Phys. Rev. E 2005; 72: 031 902.
-
(2005)
Phys. Rev. E
, vol.72
, pp. 031902
-
-
Hu, Q.1
Joshi, R.P.2
Schoenbach, K.H.3
-
40
-
-
22244452943
-
Membrane electroporation: A molecular dynamics simulation
-
Tarek M. Membrane electroporation: A molecular dynamics simulation. Biophys. J. 2005; 88: 4045-53.
-
(2005)
Biophys. J.
, vol.88
, pp. 4045-4053
-
-
Tarek, M.1
-
41
-
-
33646577504
-
Nanopore formation and phosphatidylserine externalization in a phospholipid bilayer at high transmembrane potential
-
Vernier PT, Ziegler MJ, Sun Y, Chang WV, Gundersen MA, Tieleman DP. Nanopore formation and phosphatidylserine externalization in a phospholipid bilayer at high transmembrane potential. J. Am. Chem. Soc. 2006; 128: 6288-9.
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 6288-6289
-
-
Vernier, P.T.1
Ziegler, M.J.2
Sun, Y.3
Chang, W.V.4
Gundersen, M.A.5
Tieleman, D.P.6
-
44
-
-
0041695463
-
Answers and questions from the KvAP structures
-
Cohen BE, Grabe M, Jan LY. Answers and questions from the KvAP structures. Neuron 2003; 39: 395-400.
-
(2003)
Neuron
, vol.39
, pp. 395-400
-
-
Cohen, B.E.1
Grabe, M.2
Jan, L.Y.3
-
45
-
-
16244365169
-
The voltage-sensor structure in a voltage-gated channel
-
Bezanilla F. The voltage-sensor structure in a voltage-gated channel. Trends Biochem. Sci. 2005; 30: 166-8.
-
(2005)
Trends Biochem. Sci.
, vol.30
, pp. 166-168
-
-
Bezanilla, F.1
-
46
-
-
0037282379
-
The voltage sensor and the gate in ion channels
-
Bezanilla F, Perozo E. The voltage sensor and the gate in ion channels. Adv. Protein Chem. 2003; 63: 211-41.
-
(2003)
Adv. Protein Chem.
, vol.63
, pp. 211-241
-
-
Bezanilla, F.1
Perozo, E.2
-
48
-
-
1942532321
-
Computer simulation of the KvAP voltage-gated potassium channel: Steered molecular dynamics of the voltage sensor
-
Monticelli L, Robertson KM, Maccallum JL, Tieleman DP. Computer simulation of the KvAP voltage-gated potassium channel: Steered molecular dynamics of the voltage sensor. FEBS Lett. 2004; 564: 325-32.
-
(2004)
FEBS Lett.
, vol.564
, pp. 325-332
-
-
Monticelli, L.1
Robertson, K.M.2
Maccallum, J.L.3
Tieleman, D.P.4
-
49
-
-
0035132984
-
Voltage-dependent insertion of alamethicin at phospholipid/water and octane/water interfaces
-
Tieleman DP, Berendsen HJ, Sansom MS. Voltage-dependent insertion of alamethicin at phospholipid/water and octane/water interfaces. Biophys. J. 2001; 80: 331-46.
-
(2001)
Biophys. J.
, vol.80
, pp. 331-346
-
-
Tieleman, D.P.1
Berendsen, H.J.2
Sansom, M.S.3
-
50
-
-
0034719104
-
Conversation between voltage sensors and gates of ion channels
-
Horn R. Conversation between voltage sensors and gates of ion channels. Biochemistry 2000; 39: 15 653-8.
-
(2000)
Biochemistry
, vol.39
, pp. 15653-15658
-
-
Horn, R.1
-
51
-
-
23844434005
-
Small vertical movement of a K+ channel voltage sensor measured with luminescence energy transfer
-
Posson DJ, Ge PH, Miller C, Bezanilla F, Selvin PR. Small vertical movement of a K+ channel voltage sensor measured with luminescence energy transfer. Nature 2005; 436: 848-51.
-
(2005)
Nature
, vol.436
, pp. 848-851
-
-
Posson, D.J.1
Ge, P.H.2
Miller, C.3
Bezanilla, F.4
Selvin, P.R.5
-
52
-
-
23844459909
-
Gating charge displacement in voltage-gated ion channels involves limited transmembrane movement
-
Chanda B, Asamoah OK, Blunck R, Roux B, Bezanilla F. Gating charge displacement in voltage-gated ion channels involves limited transmembrane movement. Nature 2005; 436: 852-6.
-
(2005)
Nature
, vol.436
, pp. 852-856
-
-
Chanda, B.1
Asamoah, O.K.2
Blunck, R.3
Roux, B.4
Bezanilla, F.5
-
55
-
-
23244456428
-
Crystal structure of a mammalian voltage-dependent Shaker family K+ channel
-
Long SB, Campbell EB, Mackinnon R. Crystal structure of a mammalian voltage-dependent Shaker family K+ channel. Science 2005; 309: 897-903.
-
(2005)
Science
, vol.309
, pp. 897-903
-
-
Long, S.B.1
Campbell, E.B.2
Mackinnon, R.3
-
56
-
-
23244441222
-
Voltage sensor of Kv1.2: Structural basis of electromechanical coupling
-
Long SB, Campbell EB, Mackinnon R. Voltage sensor of Kv1.2: Structural basis of electromechanical coupling. Science 2005; 309: 903-8.
-
(2005)
Science
, vol.309
, pp. 903-908
-
-
Long, S.B.1
Campbell, E.B.2
Mackinnon, R.3
-
57
-
-
85163545088
-
-
Holland IB, Cole SPC, Kuchler K, Higgins CF (eds). Academic Press, Amsterdam
-
Holland IB, Cole SPC, Kuchler K, Higgins CF (eds). ABC Proteins: From Bacteria to Man. Academic Press, Amsterdam. 2003.
-
(2003)
ABC Proteins: From Bacteria to Man
-
-
-
58
-
-
31844452870
-
The structures of MsbA: Insight into ABC transporter-mediated multidrug efflux
-
Reyes CL, Ward A, Yu J, Chang G. The structures of MsbA: Insight into ABC transporter-mediated multidrug efflux. FEBS Lett. 2006; 580: 1042-8.
-
(2006)
FEBS Lett.
, vol.580
, pp. 1042-1048
-
-
Reyes, C.L.1
Ward, A.2
Yu, J.3
Chang, G.4
-
59
-
-
18644363550
-
Structure of the ABC transporter MsbA in complex with ADP-vanadate and lipopolysaccharide
-
Reyes CL, Chang G. Structure of the ABC transporter MsbA in complex with ADP-vanadate and lipopolysaccharide. Science 2005; 308: 1028-31.
-
(2005)
Science
, vol.308
, pp. 1028-1031
-
-
Reyes, C.L.1
Chang, G.2
-
60
-
-
0038799725
-
Structure of MsbA from Vibrio cholera: A multidrug resistance ABC transporter homolog in a closed conformation
-
Chang G. Structure of MsbA from Vibrio cholera: A multidrug resistance ABC transporter homolog in a closed conformation. J. Mol. Biol. 2003; 330: 419-30.
-
(2003)
J. Mol. Biol.
, vol.330
, pp. 419-430
-
-
Chang, G.1
-
61
-
-
0035823075
-
Structure of MsbA from E. coli: A homolog of the multidrug resistance ATP binding cassette (ABC) transporters
-
Chang G, Roth CB. Structure of MsbA from E. coli: A homolog of the multidrug resistance ATP binding cassette (ABC) transporters. Science 2001; 293: 1793-800.
-
(2001)
Science
, vol.293
, pp. 1793-1800
-
-
Chang, G.1
Roth, C.B.2
-
62
-
-
0037052565
-
The E. coli BtuCD structure: A framework for ABC transporter architecture and mechanism
-
Locher KP, Lee AT, Rees DC. The E. coli BtuCD structure: A framework for ABC transporter architecture and mechanism. Science 2002; 296: 1091-8.
-
(2002)
Science
, vol.296
, pp. 1091-1098
-
-
Locher, K.P.1
Lee, A.T.2
Rees, D.C.3
-
63
-
-
0037168666
-
The structure of Escherichia coli BtuF and binding to its cognate ATP binding cassette transporter
-
Borths EL, Locher KP, Lee AT, Rees DC. The structure of Escherichia coli BtuF and binding to its cognate ATP binding cassette transporter. Proc. Natl Acad. Sci. USA 2002; 99: 16 642-7.
-
(2002)
Proc. Natl Acad. Sci. USA
, vol.99
, pp. 16642-16647
-
-
Borths, E.L.1
Locher, K.P.2
Lee, A.T.3
Rees, D.C.4
-
64
-
-
0037424465
-
Crystal structures of the BtuF periplasmic-binding protein for vitamin B12 suggest a functionally important reduction in protein mobility upon ligand binding
-
Karpowich NK, Huang HH, Smith PC, Hunt JF. Crystal structures of the BtuF periplasmic-binding protein for vitamin B12 suggest a functionally important reduction in protein mobility upon ligand binding. J. Biol. Chem. 2003; 278: 8429-34.
-
(2003)
J. Biol. Chem.
, vol.278
, pp. 8429-8434
-
-
Karpowich, N.K.1
Huang, H.H.2
Smith, P.C.3
Hunt, J.F.4
-
65
-
-
27744606438
-
A salt-bridge motif involved in ligand binding and large-scale domain motions of the maltose-binding protein
-
Stockner T, Vogel HJ, Tieleman DP. A salt-bridge motif involved in ligand binding and large-scale domain motions of the maltose-binding protein. Biophys. J. 2005; 89: 3362-71.
-
(2005)
Biophys. J.
, vol.89
, pp. 3362-3371
-
-
Stockner, T.1
Vogel, H.J.2
Tieleman, D.P.3
-
66
-
-
3943062954
-
ATP-binding cassette transporters in bacteria
-
Davidson AL, Chen J. ATP-binding cassette transporters in bacteria. Annu. Rev. Biochem. 2004; 73: 241-68.
-
(2004)
Annu. Rev. Biochem.
, vol.73
, pp. 241-268
-
-
Davidson, A.L.1
Chen, J.2
-
67
-
-
0141527345
-
A tweezers-like motion of the ATP-binding cassette dimer in an ABC transport cycle
-
Chen J, Lu G, Lin J, Davidson AL, Quiocho FA. A tweezers-like motion of the ATP-binding cassette dimer in an ABC transport cycle. Mol. Cell 2003; 12: 651-61.
-
(2003)
Mol. Cell
, vol.12
, pp. 651-661
-
-
Chen, J.1
Lu, G.2
Lin, J.3
Davidson, A.L.4
Quiocho, F.A.5
-
68
-
-
0031860932
-
A molecular dynamics study of the pores formed by Escherichia coli OmpF porin in a fully hydrated palmitoyloleoylphosphatidylcholine bilayer
-
Tieleman DP, Berendsen HJ. A molecular dynamics study of the pores formed by Escherichia coli OmpF porin in a fully hydrated palmitoyloleoylphosphatidylcholine bilayer. Biophys. J. 1998; 74: 2786-801.
-
(1998)
Biophys. J.
, vol.74
, pp. 2786-2801
-
-
Tieleman, D.P.1
Berendsen, H.J.2
-
69
-
-
0035789518
-
Gromacs 3.0: A package for molecular simulation and trajectory analysis
-
Lindahl E, Hess B, van der Spoel D. Gromacs 3.0: A package for molecular simulation and trajectory analysis. J. Mol. Model. 2001; 7: 306-17.
-
(2001)
J. Mol. Model.
, vol.7
, pp. 306-317
-
-
Lindahl, E.1
Hess, B.2
Van Der Spoel, D.3
|