-
1
-
-
0030822582
-
Prion diseases and the BSE crisis
-
Prusiner S (1997) Prion diseases and the BSE crisis. Science 278:245-251.
-
(1997)
Science
, vol.278
, pp. 245-251
-
-
Prusiner, S.1
-
3
-
-
0033570367
-
Evidence of presynaptic location and function of the prion protein
-
Herms J, et al. (1999) Evidence of presynaptic location and function of the prion protein. J Neurosci 19:8866-8875.
-
(1999)
J Neurosci
, vol.19
, pp. 8866-8875
-
-
Herms, J.1
-
4
-
-
0031080867
-
Prion protein and the transmissible spongiform encephalopathies
-
Caughey B, Chesebro B (1997) Prion protein and the transmissible spongiform encephalopathies. Trends Cell Biol 7:56-62.
-
(1997)
Trends Cell Biol
, vol.7
, pp. 56-62
-
-
Caughey, B.1
Chesebro, B.2
-
5
-
-
33845641044
-
Structure, function, and amyloidogenesis of fungal prions: Filament polymorphism and prion variants
-
Baxa U, Cassese T, Kajava A, Steven A (2006) Structure, function, and amyloidogenesis of fungal prions: Filament polymorphism and prion variants. Adv Protein Chem 73:125-180.
-
(2006)
Adv Protein Chem
, vol.73
, pp. 125-180
-
-
Baxa, U.1
Cassese, T.2
Kajava, A.3
Steven, A.4
-
6
-
-
0028844207
-
Copper-binding to the n-terminal tandem repeat region of mammalian and avian prion protein-Structural studies using synthetic peptides
-
Hornshaw MP, Mcdermott JR, Candy JM, Lakey JH (1995) Copper-binding to the n-terminal tandem repeat region of mammalian and avian prion protein-Structural studies using synthetic peptides. Biochem Bioph Res Commun 214:993-999.
-
(1995)
Biochem Bioph Res Commun
, vol.214
, pp. 993-999
-
-
Hornshaw, M.P.1
Mcdermott, J.R.2
Candy, J.M.3
Lakey, J.H.4
-
7
-
-
0028883341
-
Copper-binding to the N-terminal tandem repeat regions of mammalian and avian prion protein
-
Hornshaw MP, Mcdermott JR, Candy JM (1995) Copper-binding to the N-terminal tandem repeat regions of mammalian and avian prion protein. Biochem Bioph Res Commun 207:621-629.
-
(1995)
Biochem Bioph Res Commun
, vol.207
, pp. 621-629
-
-
Hornshaw, M.P.1
Mcdermott, J.R.2
Candy, J.M.3
-
8
-
-
0031444294
-
The cellular prion protein binds copper in vivo
-
Brown D, et al. (1997) The cellular prion protein binds copper in vivo. Nature 390:684-687.
-
(1997)
Nature
, vol.390
, pp. 684-687
-
-
Brown, D.1
-
9
-
-
0035873869
-
Imbalance of antioxidant defense in mice lacking cellular prion protein
-
Klamt F, et al. (2001) Imbalance of antioxidant defense in mice lacking cellular prion protein. Free Radical Biol Med 30:1137-1144.
-
(2001)
Free Radical Biol Med
, vol.30
, pp. 1137-1144
-
-
Klamt, F.1
-
10
-
-
0041302374
-
Cellular prion protein function in copper homeostasis and redox signalling at the synapse
-
Vassallo N, Herms J (2003) Cellular prion protein function in copper homeostasis and redox signalling at the synapse. J Neurochem 86:538-544.
-
(2003)
J Neurochem
, vol.86
, pp. 538-544
-
-
Vassallo, N.1
Herms, J.2
-
11
-
-
0037715143
-
Expression of prion protein increases cellular copper binding and antioxidant enzyme activities but not copper delivery
-
Rachidi W, et al. (2003) Expression of prion protein increases cellular copper binding and antioxidant enzyme activities but not copper delivery. J Biol Chem 278:9064-9072.
-
(2003)
J Biol Chem
, vol.278
, pp. 9064-9072
-
-
Rachidi, W.1
-
12
-
-
0037316675
-
Tethering the N-terminus of the prion protein compromises the cellular response to oxidative stress
-
Zeng FN, Watt NT, Walmsley AR, Hooper NM (2003) Tethering the N-terminus of the prion protein compromises the cellular response to oxidative stress. J Neurochem 84:480-490.
-
(2003)
J Neurochem
, vol.84
, pp. 480-490
-
-
Zeng, F.N.1
Watt, N.T.2
Walmsley, A.R.3
Hooper, N.M.4
-
13
-
-
0033571055
-
Normal prion protein has an activity like that of superoxide dismutase
-
Brown DR, et al. (1999) Normal prion protein has an activity like that of superoxide dismutase. Biochem J 344:1-5.
-
(1999)
Biochem J
, vol.344
, pp. 1-5
-
-
Brown, D.R.1
-
14
-
-
0033996803
-
Copper binding to octarepeat peptides of the prion protein monitored by mass spectrometry
-
Whittal R, Ball H, Cohen F, Prusiner A, Baldwin M (2000) Copper binding to octarepeat peptides of the prion protein monitored by mass spectrometry. Protein Sci 9:332-343.
-
(2000)
Protein Sci
, vol.9
, pp. 332-343
-
-
Whittal, R.1
Ball, H.2
Cohen, F.3
Prusiner, A.4
Baldwin, M.5
-
15
-
-
0032509499
-
Copper stimulates endocytosis of the prion protein
-
Pauly P, Harris D (1998) Copper stimulates endocytosis of the prion protein. J Biol Chem 273:33107-33110.
-
(1998)
J Biol Chem
, vol.273
, pp. 33107-33110
-
-
Pauly, P.1
Harris, D.2
-
16
-
-
18344369706
-
Molecular features of the copper binding sites in the octarepeat domain of the prion protein
-
Burns CS, et al. (2002) Molecular features of the copper binding sites in the octarepeat domain of the prion protein. Biochemistry 41:3991-4001.
-
(2002)
Biochemistry
, vol.41
, pp. 3991-4001
-
-
Burns, C.S.1
-
17
-
-
0034649237
-
Identification of the Cu 2 binding sites in the Nterminal domain of the prion protein by EPR and CD spectroscopy
-
Aronoff-Spencer E, et al. (2000) Identification of the Cu 2 binding sites in the Nterminal domain of the prion protein by EPR and CD spectroscopy. Biochemistryistry 39:13760-13771.
-
(2000)
Biochemistryistry
, vol.39
, pp. 13760-13771
-
-
Aronoff-Spencer, E.1
-
18
-
-
0037646939
-
Copper coordination in the full-length, recombinant prion protein
-
Burns CS, et al. (2003) Copper coordination in the full-length, recombinant prion protein. Biochemistry 42:6794-6803.
-
(2003)
Biochemistry
, vol.42
, pp. 6794-6803
-
-
Burns, C.S.1
-
19
-
-
0034680507
-
Copper (II) binding modes in the prion octapeptide PHGGGWGQ: A spectroscopic and voltammetric study
-
Bonomo R, Impellizzeri G, Pappalardo G, Rizzarelli E, Tabbi G (2000) Copper (II) binding modes in the prion octapeptide PHGGGWGQ: A spectroscopic and voltammetric study. Chemistry 6:4195-4202.
-
(2000)
Chemistry
, vol.6
, pp. 4195-4202
-
-
Bonomo, R.1
Impellizzeri, G.2
Pappalardo, G.3
Rizzarelli, E.4
Tabbi, G.5
-
20
-
-
0033515029
-
Copper binding to the prion protein: Structural implications of four identical cooperative binding sites
-
Viles J, et al. (1999) Copper binding to the prion protein: Structural implications of four identical cooperative binding sites. Proc Natl Acad Sci USA 96:2042-2047.
-
(1999)
Proc Natl Acad Sci USA
, vol.96
, pp. 2042-2047
-
-
Viles, J.1
-
21
-
-
0035902531
-
Location and properties of metal-binding sites on the human prion protein
-
Jackson G, et al. (2001) Location and properties of metal-binding sites on the human prion protein. Proc Natl Acad Sci USA 98:8531-8535.
-
(2001)
Proc Natl Acad Sci USA
, vol.98
, pp. 8531-8535
-
-
Jackson, G.1
-
22
-
-
13844299350
-
Probing copper(2+) binding to the prion protein-using diamagnetic nicke(2+) and H-1 NMR: The unstructured N terminus facilitates the coordination of six copper(2+) ions at physiological concentrations
-
Jones CE, Klewpatinond M, Abdelraheim SR, Brown DR, Viles JH (2005) Probing copper(2+) binding to the prion protein-using diamagnetic nicke(2+) and H-1 NMR: The unstructured N terminus facilitates the coordination of six copper(2+) ions at physiological concentrations. J Mol Biol 346:1393-1407.
-
(2005)
J Mol Biol
, vol.346
, pp. 1393-1407
-
-
Jones, C.E.1
Klewpatinond, M.2
Abdelraheim, S.R.3
Brown, D.R.4
Viles, J.H.5
-
23
-
-
38049006405
-
Hybrid ab initio Kohn-Sham density functional theory/frozen-density orbital-free density functional theory simulation method suitable for biological systems
-
Hodak M, Lu W, Bernholc J (2008) Hybrid ab initio Kohn-Sham density functional theory/frozen-density orbital-free density functional theory simulation method suitable for biological systems. J Chem Phys 128:014101.
-
(2008)
J Chem Phys
, vol.128
, pp. 014101
-
-
Hodak, M.1
Lu, W.2
Bernholc, J.3
-
24
-
-
0037254403
-
Computational studies of Cu(II)[peptide] binding motifs: Cu[hggg] and cu[hg] as models for Cu(II) binding to the prion protein octarepeat region
-
Pushie M, Rauk A (2003) Computational studies of Cu(II)[peptide] binding motifs: Cu[hggg] and cu[hg] as models for Cu(II) binding to the prion protein octarepeat region. J Biol Inorg Chem 8:53-65.
-
(2003)
J Biol Inorg Chem
, vol.8
, pp. 53-65
-
-
Pushie, M.1
Rauk, A.2
-
25
-
-
24744456323
-
The octarepeat domain of the prion protein binds cu(II) with three distinct coordination modes at pH 7.4
-
Chattopadhyay M, et al. (2005) The octarepeat domain of the prion protein binds cu(II) with three distinct coordination modes at pH 7.4. J Am Chem Soc 127:12647-12656.
-
(2005)
J Am Chem Soc
, vol.127
, pp. 12647-12656
-
-
Chattopadhyay, M.1
-
26
-
-
33750534538
-
Multiple forms of copper (II) co-ordination occur throughout the disordered N-terminal region of the prion protein at pH 7.4
-
Wells M, et al. (2006) Multiple forms of copper (II) co-ordination occur throughout the disordered N-terminal region of the prion protein at pH 7.4. Biochem J 400:501-510.
-
(2006)
Biochem J
, vol.400
, pp. 501-510
-
-
Wells, M.1
-
27
-
-
33750571382
-
A reassessment of copper(II) binding in the full-length prion protein
-
Wells MA, et al. (2006) A reassessment of copper(II) binding in the full-length prion protein. Biochem J 399:435-444.
-
(2006)
Biochem J
, vol.399
, pp. 435-444
-
-
Wells, M.A.1
-
28
-
-
0034950034
-
Electron paramagnetic resonance evidence for binding of Cu2+ to the C-terminal domain of the murine prion protein
-
Cereghetti GM, et al. (2001) Electron paramagnetic resonance evidence for binding of Cu2+ to the C-terminal domain of the murine prion protein. Biophys J 81:516-525.
-
(2001)
Biophys J
, vol.81
, pp. 516-525
-
-
Cereghetti, G.M.1
-
29
-
-
0037343044
-
Stability and Cu (II) binding of prion protein variants related to inherited human prion diseases
-
Cereghetti GM, et al. (2003) Stability and Cu (II) binding of prion protein variants related to inherited human prion diseases. Biophys J 84:1985-1997.
-
(2003)
Biophys J
, vol.84
, pp. 1985-1997
-
-
Cereghetti, G.M.1
-
30
-
-
38549135029
-
Copper binding sites in the C-terminal domain of mouse prion protein: A hybrid (QM/MM) molecular dynamics study
-
Colombo MC, et al. (2008) Copper binding sites in the C-terminal domain of mouse prion protein: A hybrid (QM/MM) molecular dynamics study. Proteins 70:1084-1098.
-
(2008)
Proteins
, vol.70
, pp. 1084-1098
-
-
Colombo, M.C.1
-
31
-
-
1242316297
-
Copper binding in the prion protein
-
Millhauser G (2004) Copper binding in the prion protein. Acc Chem Res 37:79-85.
-
(2004)
Acc Chem Res
, vol.37
, pp. 79-85
-
-
Millhauser, G.1
-
32
-
-
1942518334
-
A theoretical study on Cu (II) binding modes and antioxidant activity of mammalian normal prion protein
-
Ji H, Zhang H (2004) A theoretical study on Cu (II) binding modes and antioxidant activity of mammalian normal prion protein. Chem Res Toxicol 17:471-475.
-
(2004)
Chem Res Toxicol
, vol.17
, pp. 471-475
-
-
Ji, H.1
Zhang, H.2
-
33
-
-
0033621029
-
Raman spectroscopic study on the copper(II) binding mode of prion octapeptide and its pH dependence
-
Miura T, Hori-i A, Mototani H, Takeuchi H (1999) Raman spectroscopic study on the copper(II) binding mode of prion octapeptide and its pH dependence. Biochemistry 38:11560-11569.
-
(1999)
Biochemistry
, vol.38
, pp. 11560-11569
-
-
Miura, T.1
Hori-i, A.2
Mototani, H.3
Takeuchi, H.4
-
34
-
-
34249941302
-
Copper and the prion protein: Methods, structures, function, and disease
-
Millhauser G (2007) Copper and the prion protein: Methods, structures, function, and disease. Annu Rev Phys Chem 58:299-320.
-
(2007)
Annu Rev Phys Chem
, vol.58
, pp. 299-320
-
-
Millhauser, G.1
-
35
-
-
33751108289
-
The affinity of copper binding to the prion protein octarepeat domain: Evidence for negative cooperativity
-
Walter ED, Chattopadhyay M, Millhauser GL (2006) The affinity of copper binding to the prion protein octarepeat domain: Evidence for negative cooperativity. Biochemistry 45:13083-13092.
-
(2006)
Biochemistry
, vol.45
, pp. 13083-13092
-
-
Walter, E.D.1
Chattopadhyay, M.2
Millhauser, G.L.3
-
36
-
-
0001351515
-
Estimation of absolute and relative entropies of macromolecules using the covariance matrix
-
Schlitter J (1993) Estimation of absolute and relative entropies of macromolecules using the covariance matrix. Chem Phys Lett 215:617-621.
-
(1993)
Chem Phys Lett
, vol.215
, pp. 617-621
-
-
Schlitter, J.1
-
37
-
-
33749172039
-
CARMA: A molecular dynamics analysis program
-
Glykos NM (2006) CARMA: A molecular dynamics analysis program. J Comput Chem 27:1765-1768.
-
(2006)
J Comput Chem
, vol.27
, pp. 1765-1768
-
-
Glykos, N.M.1
-
38
-
-
0005309671
-
Extracellular copper substituents and mammalian copper transport
-
Plenum, New York, pp
-
Linder M (1991) Extracellular copper substituents and mammalian copper transport. Biochemistry of Copper (Plenum, New York), pp 73-134.
-
(1991)
Biochemistry of Copper
, pp. 73-134
-
-
Linder, M.1
-
39
-
-
0027520019
-
Intrinsic stoichiometric equilibrium constants for the binding of zinc (II) and copper (II) to the high affinity site of serum albumin
-
Masuoka J, Hegenauer J, Van Dyke B, Saltman P (1993) Intrinsic stoichiometric equilibrium constants for the binding of zinc (II) and copper (II) to the high affinity site of serum albumin. J Biol Chem 268:21533-21537.
-
(1993)
J Biol Chem
, vol.268
, pp. 21533-21537
-
-
Masuoka, J.1
Hegenauer, J.2
Van Dyke, B.3
Saltman, P.4
-
40
-
-
0029619259
-
Knowledge-based protein secondary structure assignment
-
Frishman D, Argos P (1995) Knowledge-based protein secondary structure assignment. Proteins Struct Funct Genet 23:566-579.
-
(1995)
Proteins Struct Funct Genet
, vol.23
, pp. 566-579
-
-
Frishman, D.1
Argos, P.2
-
41
-
-
0020997912
-
Dictionary of protein secondary structure: Pattern recognition of hydrogen-bonded and geometrical features
-
Kabsch W, Sander C (1983) Dictionary of protein secondary structure: Pattern recognition of hydrogen-bonded and geometrical features. Biopolymers 22:2577-2637.
-
(1983)
Biopolymers
, vol.22
, pp. 2577-2637
-
-
Kabsch, W.1
Sander, C.2
-
42
-
-
18344391235
-
Copper (II) inhibits in vitro conversion of prion protein into amyloid fibrils
-
Bocharova O, Breydo L, Salnikov V, Baskakov I (2005) Copper (II) inhibits in vitro conversion of prion protein into amyloid fibrils. Biochemistry 44:6776-6787.
-
(2005)
Biochemistry
, vol.44
, pp. 6776-6787
-
-
Bocharova, O.1
Breydo, L.2
Salnikov, V.3
Baskakov, I.4
-
43
-
-
0345714734
-
Copper binding to PrPC may inhibit prion disease propagation
-
Hijazi N, Shaked Y, Rosenmann H, Ben-Hur T, Gabizon R (2003) Copper binding to PrPC may inhibit prion disease propagation. Brain Res 993:192-200.
-
(2003)
Brain Res
, vol.993
, pp. 192-200
-
-
Hijazi, N.1
Shaked, Y.2
Rosenmann, H.3
Ben-Hur, T.4
Gabizon, R.5
-
44
-
-
0033130083
-
Strain-specific prion-protein conformation determined by metal ions
-
Wadsworth J, et al. (1999) Strain-specific prion-protein conformation determined by metal ions. Nat Cell Biol 1:55-59.
-
(1999)
Nat Cell Biol
, vol.1
, pp. 55-59
-
-
Wadsworth, J.1
-
45
-
-
0345306739
-
Copper chelation delays the onset of prion disease*
-
Sigurdsson E, et al. (2003) Copper chelation delays the onset of prion disease*. J Biol Chem 278:46199-46202.
-
(2003)
J Biol Chem
, vol.278
, pp. 46199-46202
-
-
Sigurdsson, E.1
-
46
-
-
0034705438
-
Copper (II)-induced conformational changes and protease resistance in recombinant and cellular PrP effect of protein age and deamidation
-
Qin K, et al. (2000) Copper (II)-induced conformational changes and protease resistance in recombinant and cellular PrP effect of protein age and deamidation. J Biol Chem 275:19121-19131.
-
(2000)
J Biol Chem
, vol.275
, pp. 19121-19131
-
-
Qin, K.1
-
47
-
-
0017100947
-
Theoretical studies of enzymic reactions-Dielectric, electrostatic and steric stabilization of carbonium-ion in reaction of lysozyme
-
Warshel A, Levitt M (1976) Theoretical studies of enzymic reactions-Dielectric, electrostatic and steric stabilization of carbonium-ion in reaction of lysozyme. J Mol Biol 102:227-249.
-
(1976)
J Mol Biol
, vol.102
, pp. 227-249
-
-
Warshel, A.1
Levitt, M.2
-
48
-
-
84988053595
-
A combined ab initio quantum-mechanical and molecular mechanical method for carrying out simulations on complex molecular-systems - Applications to the ch3cl + cl- exchange-reaction and gas-phase protonation of polyethers
-
Singh UC, Kollmann PA (1986) A combined ab initio quantum-mechanical and molecular mechanical method for carrying out simulations on complex molecular-systems - Applications to the ch3cl + cl- exchange-reaction and gas-phase protonation of polyethers. J Comput Chem 7:718-730.
-
(1986)
J Comput Chem
, vol.7
, pp. 718-730
-
-
Singh, U.C.1
Kollmann, P.A.2
-
49
-
-
84986513644
-
A combined quantum-mechanical and molecular mechanical potential for molecular-dynamics simulations
-
Field MJ, Bash PA, Karplus M (1990) A combined quantum-mechanical and molecular mechanical potential for molecular-dynamics simulations. J Comput Chem 11:700-733.
-
(1990)
J Comput Chem
, vol.11
, pp. 700-733
-
-
Field, M.J.1
Bash, P.A.2
Karplus, M.3
-
50
-
-
0000054413
-
Real-space multigrid-based approach to large-scale electronic structure calculations
-
Briggs EL, Sullivan DJ, Bernholc J (1996) Real-space multigrid-based approach to large-scale electronic structure calculations. Phys Rev B 54:14362-14375.
-
(1996)
Phys Rev B
, vol.54
, pp. 14362-14375
-
-
Briggs, E.L.1
Sullivan, D.J.2
Bernholc, J.3
-
51
-
-
34547673564
-
Implementation of ultrasoft pseudopotentials in large-scale grid-based electronic structure calculations
-
Hodak M, Wang S, Lu W, Bernholc J (2007) Implementation of ultrasoft pseudopotentials in large-scale grid-based electronic structure calculations. Phys Rev B 76:085108.
-
(2007)
Phys Rev B
, vol.76
, pp. 085108
-
-
Hodak, M.1
Wang, S.2
Lu, W.3
Bernholc, J.4
-
52
-
-
20544463457
-
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
-
Vanderbilt D (1990) Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. Phys Rev B 41:7892.
-
(1990)
Phys Rev B
, vol.41
, pp. 7892
-
-
Vanderbilt, D.1
-
55
-
-
0012710491
-
NMRsolution structure of the human prion protein
-
Zahn R, et al. (2000)NMRsolution structure of the human prion protein. Proc Natl Acad Sci USA 97:145-150.
-
(2000)
Proc Natl Acad Sci USA
, vol.97
, pp. 145-150
-
-
Zahn, R.1
-
56
-
-
27344436659
-
Scalable molecular dynamics with namd
-
Phillips JC, et al. (2005) Scalable molecular dynamics with namd. J Comput Chem 26:1781-1802.
-
(2005)
J Comput Chem
, vol.26
, pp. 1781-1802
-
-
Phillips, J.C.1
-
57
-
-
0034250744
-
An improved empirical potential energy function for molecular simulations of phospholipids
-
Feller SE, MacKerell AD (2000) An improved empirical potential energy function for molecular simulations of phospholipids. J Phys Chem B 104:7510-7515.
-
(2000)
J Phys Chem B
, vol.104
, pp. 7510-7515
-
-
Feller, S.E.1
MacKerell, A.D.2
-
58
-
-
0028867364
-
Constant pressure and temperature molecular dynamics simulation of a fully hydrated liquid crystal phase dipalmitoylphosphatidylcholine bilayer
-
Tu K, Tobias DJ, Klein ML (1995) Constant pressure and temperature molecular dynamics simulation of a fully hydrated liquid crystal phase dipalmitoylphosphatidylcholine bilayer. Biophys J 69:2558-2562.
-
(1995)
Biophys J
, vol.69
, pp. 2558-2562
-
-
Tu, K.1
Tobias, D.J.2
Klein, M.L.3
-
59
-
-
36449007836
-
Constant-pressure moleculardynamics simulation-The Langevin piston method
-
Feller SE, Zhang YH, Pastor RW, Brooks BR (1995) Constant-pressure moleculardynamics simulation-The Langevin piston method. J Chem Phys 103:4613-4621.
-
(1995)
J Chem Phys
, vol.103
, pp. 4613-4621
-
-
Feller, S.E.1
Zhang, Y.H.2
Pastor, R.W.3
Brooks, B.R.4
-
60
-
-
33646650705
-
Reversible multiple time scale moleculardynamics
-
Tuckerman M, Berne BJ, Martyna GJ (1992) Reversible multiple time scale moleculardynamics. J Chem Phys 97:1990-2001.
-
(1992)
J Chem Phys
, vol.97
, pp. 1990-2001
-
-
Tuckerman, M.1
Berne, B.J.2
Martyna, G.J.3
-
61
-
-
84963146276
-
-
Generalized Verlet algorithm for efficient molecular dynamics simulations with long-range interactions
-
Grubmüller H, Heller H, Windemuth A, Schulten K (1991) Generalized Verlet algorithm for efficient molecular dynamics simulations with long-range interactions. Mol Simul 6:121-142.
-
(1991)
Mol Simul
, vol.6
, pp. 121-142
-
-
Grubmüller, H.1
Heller, H.2
Windemuth, A.3
Schulten, K.4
-
62
-
-
33646940952
-
Numerical integration of the cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes
-
Ryckaert JP, Ciccotti G, Berendsen HJC (1977) Numerical integration of the cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes. J Comput Phys 23:327-341.
-
(1977)
J Comput Phys
, vol.23
, pp. 327-341
-
-
Ryckaert, J.P.1
Ciccotti, G.2
Berendsen, H.J.C.3
|