-
1
-
-
36949026476
-
Brca2: a universal recombinase regulator
-
Thorslund T, West SC, (2007) Brca2: a universal recombinase regulator. Oncogene 26: 7720.
-
(2007)
Oncogene
, vol.26
, pp. 7720
-
-
Thorslund, T.1
West, S.C.2
-
2
-
-
77649131406
-
Mitotic homologous recombination maintains genomic stability and suppresses tumorigenesis
-
Moynahan ME, Jasin M, (2010) Mitotic homologous recombination maintains genomic stability and suppresses tumorigenesis. Nat Rev Mol Cell Biol 11: 196.
-
(2010)
Nat Rev Mol Cell Biol
, vol.11
, pp. 196
-
-
Moynahan, M.E.1
Jasin, M.2
-
3
-
-
0041378027
-
Sequence fingerprints in brca2 and rad51: implications for dna repair and cancer
-
Lo T, Pellegrini L, Venkitaraman AR, Blundell TL, (2003) Sequence fingerprints in brca2 and rad51: implications for dna repair and cancer. DNA Repair (Amst) 2: 1015.
-
(2003)
DNA Repair (Amst)
, vol.2
, pp. 1015
-
-
Lo, T.1
Pellegrini, L.2
Venkitaraman, A.R.3
Blundell, T.L.4
-
4
-
-
0031022191
-
The brc repeats are conserved in mammalian brca2 proteins
-
Bignell G, Micklem G, Stratton MR, Ashworth A, Wooster R, (1997) The brc repeats are conserved in mammalian brca2 proteins. Hum Mol Genet 6: 53.
-
(1997)
Hum Mol Genet
, vol.6
, pp. 53
-
-
Bignell, G.1
Micklem, G.2
Stratton, M.R.3
Ashworth, A.4
Wooster, R.5
-
5
-
-
69449089443
-
The brc repeats of human brca2 differentially regulate rad51 binding on single- versus double-stranded dna to stimulate strand exchange
-
Shivji MK, Mukund SR, Rajendra E, Chen S, Short JM, et al. (2009) The brc repeats of human brca2 differentially regulate rad51 binding on single- versus double-stranded dna to stimulate strand exchange. Proc Natl Acad Sci USA 106: 13254.
-
(2009)
Proc Natl Acad Sci USA
, vol.106
, pp. 13254
-
-
Shivji, M.K.1
Mukund, S.R.2
Rajendra, E.3
Chen, S.4
Short, J.M.5
-
6
-
-
62149104415
-
The brc repeats of brca2 modulate the dna-binding selectivity of rad51
-
Carreira A, Hilario J, Amitani I, Baskin RJ, Shivji MK, et al. (2009) The brc repeats of brca2 modulate the dna-binding selectivity of rad51. Cell 136: 1032.
-
(2009)
Cell
, vol.136
, pp. 1032
-
-
Carreira, A.1
Hilario, J.2
Amitani, I.3
Baskin, R.J.4
Shivji, M.K.5
-
7
-
-
34249878748
-
Stabilization of rad51 nucleoprotein filaments by the c-terminal region of brca2
-
Esashi F, Galkin VE, Yu X, Egelman EH, West SC, (2007) Stabilization of rad51 nucleoprotein filaments by the c-terminal region of brca2. Nat Struct Mol Biol 14: 468.
-
(2007)
Nat Struct Mol Biol
, vol.14
, pp. 468
-
-
Esashi, F.1
Galkin, V.E.2
Yu, X.3
Egelman, E.H.4
West, S.C.5
-
8
-
-
34249887673
-
Interaction with the brca2 c terminus protects rad51-dna filaments from disassembly by brc repeats
-
Davies OR, Pellegrini L, (2007) Interaction with the brca2 c terminus protects rad51-dna filaments from disassembly by brc repeats. Nat Struct Mol Biol 14: 475.
-
(2007)
Nat Struct Mol Biol
, vol.14
, pp. 475
-
-
Davies, O.R.1
Pellegrini, L.2
-
9
-
-
67649881097
-
The carboxyl terminus of brca2 links the disassembly of rad51 complexes to mitotic entry
-
Ayoub N, Rajendra E, Su X, Jeyasekharan AD, Mahen R, et al. (2009) The carboxyl terminus of brca2 links the disassembly of rad51 complexes to mitotic entry. Curr Biol 19: 1075.
-
(2009)
Curr Biol
, vol.19
, pp. 1075
-
-
Ayoub, N.1
Rajendra, E.2
Su, X.3
Jeyasekharan, A.D.4
Mahen, R.5
-
10
-
-
0035099044
-
Brca2 is required for homology-directed repair of chromosomal breaks
-
Moynahan ME, Pierce AJ, Jasin M, (2001) Brca2 is required for homology-directed repair of chromosomal breaks. Mol Cell 7: 263.
-
(2001)
Mol Cell
, vol.7
, pp. 263
-
-
Moynahan, M.E.1
Pierce, A.J.2
Jasin, M.3
-
11
-
-
0031990269
-
Involvement of brca2 in dna repair
-
Patel KJ, Yu VP, Lee H, Corcoran A, Thistlethwaite FC, et al. (1998) Involvement of brca2 in dna repair. Mol Cell 1: 347.
-
(1998)
Mol Cell
, vol.1
, pp. 347
-
-
Patel, K.J.1
Yu, V.P.2
Lee, H.3
Corcoran, A.4
Thistlethwaite, F.C.5
-
12
-
-
33748559470
-
A region of human brca2 containing multiple brc repeats promotes rad51-mediated strand exchange
-
Shivji MK, Davies OR, Savill JM, Bates DL, Pellegrini L, et al. (2006) A region of human brca2 containing multiple brc repeats promotes rad51-mediated strand exchange. Nucleic Acids Res 34: 4000.
-
(2006)
Nucleic Acids Res
, vol.34
, pp. 4000
-
-
Shivji, M.K.1
Davies, O.R.2
Savill, J.M.3
Bates, D.L.4
Pellegrini, L.5
-
13
-
-
33744950933
-
Recombination mediator and rad51 targeting activities of a human brca2 polypeptide
-
San Filippo J, Chi P, Sehorn MG, Etchin J, Krejci L, et al. (2006) Recombination mediator and rad51 targeting activities of a human brca2 polypeptide. J Biol Chem 281: 11649.
-
(2006)
J Biol Chem
, vol.281
, pp. 11649
-
-
San Filippo, J.1
Chi, P.2
Sehorn, M.G.3
Etchin, J.4
Krejci, L.5
-
14
-
-
33745018564
-
Suppression of the dna repair defects of brca2-deficient cells with heterologous protein fusions
-
Saeki H, Siaud N, Christ N, Wiegant WW, van Buul PPW, et al. (2006) Suppression of the dna repair defects of brca2-deficient cells with heterologous protein fusions. Proc Natl Acad Sci USA 103: 8768.
-
(2006)
Proc Natl Acad Sci USA
, vol.103
, pp. 8768
-
-
Saeki, H.1
Siaud, N.2
Christ, N.3
Wiegant, W.W.4
van Buul, P.P.W.5
-
15
-
-
77957804604
-
The breast cancer tumor suppressor brca2 promotes the specific targeting of rad51 to single-stranded dna
-
Thorslund T, McIlwraith MJ, Compton SA, Lekomtsev S, Petronczki M, et al. (2010) The breast cancer tumor suppressor brca2 promotes the specific targeting of rad51 to single-stranded dna. Nat Struct Mol Biol 17: 1263.
-
(2010)
Nat Struct Mol Biol
, vol.17
, pp. 1263
-
-
Thorslund, T.1
McIlwraith, M.J.2
Compton, S.A.3
Lekomtsev, S.4
Petronczki, M.5
-
16
-
-
77957975815
-
Purified human brca2 stimulates rad51-mediated recombination
-
Jensen RB, Carreira A, Kowalczykowski SC, (2010) Purified human brca2 stimulates rad51-mediated recombination. Nature 467: 678.
-
(2010)
Nature
, vol.467
, pp. 678
-
-
Jensen, R.B.1
Carreira, A.2
Kowalczykowski, S.C.3
-
17
-
-
77957804215
-
Human brca2 protein promotes rad51 filament formation on rpa-covered single-stranded dna
-
Liu J, Doty T, Gibson B, Heyer WD, (2010) Human brca2 protein promotes rad51 filament formation on rpa-covered single-stranded dna. Nat Struct Mol Biol 17: 1260.
-
(2010)
Nat Struct Mol Biol
, vol.17
, pp. 1260
-
-
Liu, J.1
Doty, T.2
Gibson, B.3
Heyer, W.D.4
-
18
-
-
2242443513
-
Insights into dna recombination from the structure of a rad51-brca2 complex
-
Pellegrini L, Yu DS, Lo T, Anand S, Lee M, et al. (2002) Insights into dna recombination from the structure of a rad51-brca2 complex. Nature 420: 287.
-
(2002)
Nature
, vol.420
, pp. 287
-
-
Pellegrini, L.1
Yu, D.S.2
Lo, T.3
Anand, S.4
Lee, M.5
-
19
-
-
75649090767
-
Two modules in the brc repeats of brca2 mediate structural and functional interactions with the rad51 recombinase
-
Rajendra E, Venkitaraman AR, (2010) Two modules in the brc repeats of brca2 mediate structural and functional interactions with the rad51 recombinase. Nucl Acids Res 38: 82.
-
(2010)
Nucl Acids Res
, vol.38
, pp. 82
-
-
Rajendra, E.1
Venkitaraman, A.R.2
-
20
-
-
0032702679
-
Expression of brc repeats in breast cancer cells disrupts the brca2-rad51 complex and leads to radiation hypersensitivity and loss of g2/m checkpoint control
-
Chen CF, Chen PL, Zhong Q, Sharp ZD, Lee WH, (1999) Expression of brc repeats in breast cancer cells disrupts the brca2-rad51 complex and leads to radiation hypersensitivity and loss of g2/m checkpoint control. J Biol Chem 274: 32931.
-
(1999)
J Biol Chem
, vol.274
, pp. 32931
-
-
Chen, C.F.1
Chen, P.L.2
Zhong, Q.3
Sharp, Z.D.4
Lee, W.H.5
-
21
-
-
0031466027
-
Rad51 interacts with the evolutionarily conserved brc motifs in the human breast cancer susceptibility gene brca2
-
Wong AKC, Pero R, Ormonde PA, Tavtigian SV, Bartel PL, (1997) Rad51 interacts with the evolutionarily conserved brc motifs in the human breast cancer susceptibility gene brca2. J Biol Chem 272: 31941.
-
(1997)
J Biol Chem
, vol.272
, pp. 31941
-
-
Wong, A.K.C.1
Pero, R.2
Ormonde, P.A.3
Tavtigian, S.V.4
Bartel, P.L.5
-
22
-
-
34250879021
-
Interactions between human brca2 protein and the meiosisspecific recombinase dmc1
-
Thorslund T, Esashi F, West SC, (2007) Interactions between human brca2 protein and the meiosisspecific recombinase dmc1. EMBO J 26: 2915.
-
(2007)
EMBO J
, vol.26
, pp. 2915
-
-
Thorslund, T.1
Esashi, F.2
West, S.C.3
-
23
-
-
78751641417
-
Protein-protein interactions from linear-scaling first-principles quantum-mechanical calculations
-
Cole DJ, Skylaris CK, Rajendra E, Venkitaraman AR, Payne MC, (2010) Protein-protein interactions from linear-scaling first-principles quantum-mechanical calculations. EPL 91: 37004.
-
(2010)
EPL
, vol.91
, pp. 37004
-
-
Cole, D.J.1
Skylaris, C.K.2
Rajendra, E.3
Venkitaraman, A.R.4
Payne, M.C.5
-
24
-
-
0033568644
-
Computational alanine scanning to probe protein-protein interactions: A novel approach to evaluate binding free energies
-
Massova I, Kollman PA, (1999) Computational alanine scanning to probe protein-protein interactions: A novel approach to evaluate binding free energies. J Am Chem Soc 121: 8133.
-
(1999)
J Am Chem Soc
, vol.121
, pp. 8133
-
-
Massova, I.1
Kollman, P.A.2
-
25
-
-
0032574733
-
The brc repeats in brca2 are critical for rad51 binding and resistance to methyl methanesulfonate treatment
-
Chen PL, Chen CF, Chen Y, Xiao J, Sharp ZD, et al. (1998) The brc repeats in brca2 are critical for rad51 binding and resistance to methyl methanesulfonate treatment. Proc Natl Acad Sci USA 95: 5287.
-
(1998)
Proc Natl Acad Sci USA
, vol.95
, pp. 5287
-
-
Chen, P.L.1
Chen, C.F.2
Chen, Y.3
Xiao, J.4
Sharp, Z.D.5
-
26
-
-
78650486115
-
Comparing experimental and computational alanine scanning techniques for probing a prototypical protein-protein interaction
-
Bradshaw RT, Patel BH, Tate EW, Leatherbarrow RJ, Gould IR, (2011) Comparing experimental and computational alanine scanning techniques for probing a prototypical protein-protein interaction. Protein Eng Des Sel 24: 197.
-
(2011)
Protein Eng Des Sel
, vol.24
, pp. 197
-
-
Bradshaw, R.T.1
Patel, B.H.2
Tate, E.W.3
Leatherbarrow, R.J.4
Gould, I.R.5
-
27
-
-
0032560959
-
Continuum solvent studies of the stability of dna, rna, and phosphoramidate-dna helices
-
Srinivasan J, Cheatham TE III, Cieplak P, Kollman PA, Case DA, (1998) Continuum solvent studies of the stability of dna, rna, and phosphoramidate-dna helices. J Am Chem Soc 120: 9401.
-
(1998)
J Am Chem Soc
, vol.120
, pp. 9401
-
-
Srinivasan, J.1
Cheatham III, T.E.2
Cieplak, P.3
Kollman, P.A.4
Case, D.A.5
-
28
-
-
0347602124
-
Converging free energy estimates: Mm-pb(gb)sa studies on the proteinprotein complex ras-raf
-
Gohlke H, Case DA, (2004) Converging free energy estimates: Mm-pb(gb)sa studies on the proteinprotein complex ras-raf. J Comput Chem 25: 238.
-
(2004)
J Comput Chem
, vol.25
, pp. 238
-
-
Gohlke, H.1
Case, D.A.2
-
29
-
-
0028916599
-
A hot-spot of binding-energy in a hormone-receptor interface
-
Clackson T, Wells JA, (1995) A hot-spot of binding-energy in a hormone-receptor interface. Science 267: 383.
-
(1995)
Science
, vol.267
, pp. 383
-
-
Clackson, T.1
Wells, J.A.2
-
30
-
-
0032540358
-
Structural and functional analysis of the 1: 1 growth hormone: receptor complex reveals the molecular basis for receptor affinity
-
Clackson T, Ultsch MH, Wells JA, de Vos AM, (1998) Structural and functional analysis of the 1: 1 growth hormone: receptor complex reveals the molecular basis for receptor affinity. J Mol Biol 277: 1111.
-
(1998)
J Mol Biol
, vol.277
, pp. 1111
-
-
Clackson, T.1
Ultsch, M.H.2
Wells, J.A.3
de Vos, A.M.4
-
31
-
-
11844249426
-
Hot regions in protein-protein interactions: The organization and contribution of structurally conserved hot spot residues
-
Keskin O, Ma BY, Nussinov R, (2005) Hot regions in protein-protein interactions: The organization and contribution of structurally conserved hot spot residues. J Mol Biol 345: 1281.
-
(2005)
J Mol Biol
, vol.345
, pp. 1281
-
-
Keskin, O.1
Ma, B.Y.2
Nussinov, R.3
-
33
-
-
3543041245
-
Crystal structure of a rad51 filament
-
Conway AB, Lynch TW, Zhang Y, Fortin GS, Fung CW, et al. (2004) Crystal structure of a rad51 filament. Nat Struct Mol Biol 11: 791.
-
(2004)
Nat Struct Mol Biol
, vol.11
, pp. 791
-
-
Conway, A.B.1
Lynch, T.W.2
Zhang, Y.3
Fortin, G.S.4
Fung, C.W.5
-
34
-
-
34147116967
-
Automated parametrization of biomolecular force fields from quantum mechanics/molecular mechanics (qm/mm) simulations through force matching
-
Maurer P, Laio A, Hugosson HW, Colombo MC, Rothlisberger U, (2007) Automated parametrization of biomolecular force fields from quantum mechanics/molecular mechanics (qm/mm) simulations through force matching. J Chem Theory Comput 3: 628.
-
(2007)
J Chem Theory Comput
, vol.3
, pp. 628
-
-
Maurer, P.1
Laio, A.2
Hugosson, H.W.3
Colombo, M.C.4
Rothlisberger, U.5
-
35
-
-
77956309363
-
Dynamical effects in ab initio nmr calculations: classical force fields fitted to quantum forces
-
Robinson M, Haynes PD, (2010) Dynamical effects in ab initio nmr calculations: classical force fields fitted to quantum forces. J Chem Phys 133: 084109.
-
(2010)
J Chem Phys
, vol.133
, pp. 084109
-
-
Robinson, M.1
Haynes, P.D.2
-
36
-
-
49649088827
-
Classical molecular dynamics simulations of the complex between the rad51 protein and the brc hairpin loops of the brca2 protein
-
Buis N, Skylaris CK, Grant GH, Rajendra E, Payne MC, et al. (2008) Classical molecular dynamics simulations of the complex between the rad51 protein and the brc hairpin loops of the brca2 protein. Mol Sim 34: 749.
-
(2008)
Mol Sim
, vol.34
, pp. 749
-
-
Buis, N.1
Skylaris, C.K.2
Grant, G.H.3
Rajendra, E.4
Payne, M.C.5
-
37
-
-
77955356550
-
Design of potent inhibitors of human rad51 recombinase based on brc motifs of brca2 protein: modeling and experimental validation of a chimera peptide
-
Nomme J, Renodon-Cornière A, Asanomi Y, Sakaguchi Y, Stasiak AZ, et al. (2010) Design of potent inhibitors of human rad51 recombinase based on brc motifs of brca2 protein: modeling and experimental validation of a chimera peptide. J Med Chem 53: 5782.
-
(2010)
J Med Chem
, vol.53
, pp. 5782
-
-
Nomme, J.1
Renodon-Cornière, A.2
Asanomi, Y.3
Sakaguchi, Y.4
Stasiak, A.Z.5
-
38
-
-
0028006563
-
Localization of a breast cancer susceptibility gene, brca2, to chromosome 13q12-13
-
Wooster R, Neuhausen SL, Mangion J, Quirk Y, Ford D, et al. (1994) Localization of a breast cancer susceptibility gene, brca2, to chromosome 13q12-13. Science 265: 2088.
-
(1994)
Science
, vol.265
, pp. 2088
-
-
Wooster, R.1
Neuhausen, S.L.2
Mangion, J.3
Quirk, Y.4
Ford, D.5
-
39
-
-
0006713602
-
Identification of the breast cancer susceptibility gene brca2
-
Wooster R, Bignell G, Lancaster J, Swift S, Seal S, et al. (1995) Identification of the breast cancer susceptibility gene brca2. Nature 378: 789.
-
(1995)
Nature
, vol.378
, pp. 789
-
-
Wooster, R.1
Bignell, G.2
Lancaster, J.3
Swift, S.4
Seal, S.5
-
40
-
-
29544432479
-
Stability and fluctuations of amide hydrogen bonds in a bacterial cytochrome c: a molecular dynamics study
-
Kieseritzky G, Morra G, Knapp EW, (2006) Stability and fluctuations of amide hydrogen bonds in a bacterial cytochrome c: a molecular dynamics study. J Biol Inorg Chem 11: 26.
-
(2006)
J Biol Inorg Chem
, vol.11
, pp. 26
-
-
Kieseritzky, G.1
Morra, G.2
Knapp, E.W.3
-
41
-
-
65249124122
-
Computations of standard binding free energies with molecular dynamics simulations
-
Deng Y, Roux B, (2009) Computations of standard binding free energies with molecular dynamics simulations. J Phys Chem B 113: 2234.
-
(2009)
J Phys Chem B
, vol.113
, pp. 2234
-
-
Deng, Y.1
Roux, B.2
-
42
-
-
77955663115
-
Prediction of protein-ligand binding affinity by free energy simulations: assumptions, pitfalls and expectations
-
Michel J, Essex JW, (2010) Prediction of protein-ligand binding affinity by free energy simulations: assumptions, pitfalls and expectations. J Comput Aided Mol Des 24: 639.
-
(2010)
J Comput Aided Mol Des
, vol.24
, pp. 639
-
-
Michel, J.1
Essex, J.W.2
-
43
-
-
0028072098
-
Purification and characterization of the human rad51 protein, an analogue of e. coli reca
-
Benson FE, Stasiak A, West SC, (1994) Purification and characterization of the human rad51 protein, an analogue of e. coli reca. Embo J 13: 5764.
-
(1994)
Embo J
, vol.13
, pp. 5764
-
-
Benson, F.E.1
Stasiak, A.2
West, S.C.3
-
44
-
-
4444291734
-
Activation of apoptosis in vivo by a hydrocarbon-stapled bh3 helix
-
Walensky LD, Kung AL, Escher I, Malia TJ, Barbuto S, et al. (2004) Activation of apoptosis in vivo by a hydrocarbon-stapled bh3 helix. Science 305: 1466.
-
(2004)
Science
, vol.305
, pp. 1466
-
-
Walensky, L.D.1
Kung, A.L.2
Escher, I.3
Malia, T.J.4
Barbuto, S.5
-
45
-
-
79960952286
-
-
Amber10, University of California, San Francisco
-
Case DA, Darden TA, Cheatham TE III, Simmerling CL, Wang J, et al. (2008) Amber10, University of California, San Francisco.
-
(2008)
-
-
Case, D.A.1
Darden, T.A.2
Cheatham III., T.E.3
Simmerling, C.L.4
Wang, J.5
-
46
-
-
33748518255
-
Comparison of multiple amber force fields and development of improved protein backbone parameters
-
Hornak V, Abel R, Okur A, Strockbine B, Roitberg A, et al. (2006) Comparison of multiple amber force fields and development of improved protein backbone parameters. Proteins 65: 712.
-
(2006)
Proteins
, vol.65
, pp. 712
-
-
Hornak, V.1
Abel, R.2
Okur, A.3
Strockbine, B.4
Roitberg, A.5
-
47
-
-
0035902614
-
Domain structure and dynamics in the helical filaments formed by reca and rad51 on dna
-
Yu X, Jacobs SA, West SC, Ogawa T, Egelman EH, (2001) Domain structure and dynamics in the helical filaments formed by reca and rad51 on dna. Proc Natl Acad Sci USA 98: 8419.
-
(2001)
Proc Natl Acad Sci USA
, vol.98
, pp. 8419
-
-
Yu, X.1
Jacobs, S.A.2
West, S.C.3
Ogawa, T.4
Egelman, E.H.5
-
48
-
-
47249132575
-
A comparative analysis of dmc1 and rad51 nucleoprotein filaments
-
Sheridan SD, Yu X, Roth R, Heuser JE, Sehorn MG, et al. (2008) A comparative analysis of dmc1 and rad51 nucleoprotein filaments. Nucl Acids Res 36: 4057.
-
(2008)
Nucl Acids Res
, vol.36
, pp. 4057
-
-
Sheridan, S.D.1
Yu, X.2
Roth, R.3
Heuser, J.E.4
Sehorn, M.G.5
-
49
-
-
0029879199
-
Mutagenesis of transmembrane domain 11 of p-glycoprotein by alanine scanning
-
Hanna M, Brault M, Kwan T, Kast C, Gros P, (1996) Mutagenesis of transmembrane domain 11 of p-glycoprotein by alanine scanning. Biochemistry 35: 3625.
-
(1996)
Biochemistry
, vol.35
, pp. 3625
-
-
Hanna, M.1
Brault, M.2
Kwan, T.3
Kast, C.4
Gros, P.5
-
50
-
-
36849077550
-
Nonlinear scaling schemes for lennard-jones interactions in free energy calculations
-
Steinbrecher T, Mobley DL, Case DA, (2007) Nonlinear scaling schemes for lennard-jones interactions in free energy calculations. J Chem Phys 127: 214108.
-
(2007)
J Chem Phys
, vol.127
, pp. 214108
-
-
Steinbrecher, T.1
Mobley, D.L.2
Case, D.A.3
-
51
-
-
22944446425
-
Introducing onetep: Linear-scaling density functional simulations on parallel computers
-
Skylaris CK, Haynes PD, Mostofi AA, Payne MC, (2005) Introducing onetep: Linear-scaling density functional simulations on parallel computers. J Chem Phys 122: 084119.
-
(2005)
J Chem Phys
, vol.122
, pp. 084119
-
-
Skylaris, C.K.1
Haynes, P.D.2
Mostofi, A.A.3
Payne, M.C.4
-
52
-
-
4243943295
-
Generalized gradient approximation made simple
-
Perdew JP, Burke K, Ernzerhof M, (1996) Generalized gradient approximation made simple. Phys Rev Lett 77: 3865.
-
(1996)
Phys Rev Lett
, vol.77
, pp. 3865
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
53
-
-
23844459844
-
Nearsightedness of electronic matter
-
Prodan E, Kohn W, (2005) Nearsightedness of electronic matter. Science 102: 11635.
-
(2005)
Science
, vol.102
, pp. 11635
-
-
Prodan, E.1
Kohn, W.2
-
54
-
-
4243520566
-
The non-orthogonal generalized wannier function pseudopotential plane-wave method
-
Skylaris CK, Mostofi AA, Haynes PD, Dieguez O, Payne MC, (2002) The non-orthogonal generalized wannier function pseudopotential plane-wave method. Phys Rev B 66: 035119.
-
(2002)
Phys Rev B
, vol.66
, pp. 035119
-
-
Skylaris, C.K.1
Mostofi, A.A.2
Haynes, P.D.3
Dieguez, O.4
Payne, M.C.5
-
55
-
-
0344036143
-
Preconditioned iterative minimisation for linear-scaling electronic structure calculations
-
Mostofi AA, Haynes PD, Skylaris CK, Payne MC, (2003) Preconditioned iterative minimisation for linear-scaling electronic structure calculations. J Chem Phys 119: 8842.
-
(2003)
J Chem Phys
, vol.119
, pp. 8842
-
-
Mostofi, A.A.1
Haynes, P.D.2
Skylaris, C.K.3
Payne, M.C.4
-
56
-
-
0000947425
-
Supercell technique for total-energy calculations of finite charged and polar systems
-
Jarvis MR, White ID, Godby RW, Payne MC, (1997) Supercell technique for total-energy calculations of finite charged and polar systems. Phys Rev B 56: 14972.
-
(1997)
Phys Rev B
, vol.56
, pp. 14972
-
-
Jarvis, M.R.1
White, I.D.2
Godby, R.W.3
Payne, M.C.4
-
57
-
-
67149114950
-
Including dispersion interactions in the onetep program for linear-scaling density functional theory calculations
-
Hill Q, Skylaris CK, (2009) Including dispersion interactions in the onetep program for linear-scaling density functional theory calculations. Proc R Soc A 465: 669.
-
(2009)
Proc R Soc A
, vol.465
, pp. 669
-
-
Hill, Q.1
Skylaris, C.K.2
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