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Volumn 128, Issue 6, 2008, Pages

An integrate-over-temperature approach for enhanced sampling

Author keywords

[No Author keywords available]

Indexed keywords

BIAS VOLTAGE; BOLTZMANN EQUATION; COMPUTER SIMULATION; MOLECULAR DYNAMICS;

EID: 39349109496     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2825614     Document Type: Article
Times cited : (169)

References (28)
  • 1
    • 0030904524 scopus 로고    scopus 로고
    • COSBEF 0959-440X 10.1016/S0959-440X(97)80023-1.
    • B. J. Berne and J. E. Straub, Curr. Opin. Struct. Biol. COSBEF 0959-440X 10.1016/S0959-440X(97)80023-1 7, 181 (1997).
    • (1997) Curr. Opin. Struct. Biol. , vol.7 , pp. 181
    • Berne, B.J.1    Straub, J.E.2
  • 3
    • 0031648813 scopus 로고    scopus 로고
    • JPCBFK 1089-5647 10.1021/jp972280j.
    • C. Bartels and M. Karplus, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp972280j 102, 865 (1998).
    • (1998) J. Phys. Chem. B , vol.102 , pp. 865
    • Bartels, C.1    Karplus, M.2
  • 4
    • 0001616080 scopus 로고    scopus 로고
    • CHPLBC 0009-2614 10.1016/S0009-2614(99)01123-9, ();, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1308516 113, 6042 (2000).
    • Y. Sugita and Y. Okamoto, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(99)01123-9 314, 141 (1999); Y. Sugita, A. Kitao, and Y. Okamoto, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1308516 113, 6042 (2000).
    • (1999) Chem. Phys. Lett. , vol.314 , pp. 141
    • Sugita, Y.1    Okamoto, Y.2    Sugita, Y.3    Kitao, A.4    Okamoto, Y.5
  • 5
    • 0031552330 scopus 로고    scopus 로고
    • CHPLBC 0009-2614 10.1016/S0009-2614(97)00180-2.
    • F. Eisenmenger and U. H. E. Hansmann, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(97)00180-2 268, 86 (1997).
    • (1997) Chem. Phys. Lett. , vol.268 , pp. 86
    • Eisenmenger, F.1    Hansmann, U.H.E.2
  • 6
    • 0000106469 scopus 로고
    • PYLBAJ 0370-2693 10.1016/0370-2693(91)91256-U, ();, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2171189 124, 104103 (2006).
    • B. A. Berg and T. Neuhaus, Phys. Lett. B PYLBAJ 0370-2693 10.1016/0370-2693(91)91256-U 267, 249 (1991); S. G. Itoh and Y. Okamoto, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2171189 124, 104103 (2006).
    • (1991) Phys. Lett. B , vol.267 , pp. 249
    • Berg, B.A.1    Neuhaus, T.2    Itoh, S.G.3    Okamoto, Y.4
  • 7
    • 33644772083 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.96.090601.
    • G. Bussi, A. Laio, and M. Parrinello, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.090601 96, 090601 (2006).
    • (2006) Phys. Rev. Lett. , vol.96 , pp. 090601
    • Bussi, G.1    Laio, A.2    Parrinello, M.3
  • 8
    • 0000689085 scopus 로고
    • PLEEE8 1063-651X 10.1103/PhysRevE.52.2893.
    • H. Grubmuller, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.52.2893 52, 2893 (1995).
    • (1995) Phys. Rev. e , vol.52 , pp. 2893
    • Grubmuller, H.1
  • 9
    • 0001176785 scopus 로고    scopus 로고
    • JCCHDD 0192-8651 10.1002/(SICI)1096-987X(19970715)18:9<1222::AID- JCC10>3.0.CO;2-7.
    • J. Lee, H. A. Scheraga, and S. Rackovsky, J. Comput. Chem. JCCHDD 0192-8651 10.1002/(SICI)1096-987X(19970715)18:9<1222::AID-JCC10>3.0.CO;2-7 18, 1222 (1997).
    • (1997) J. Comput. Chem. , vol.18 , pp. 1222
    • Lee, J.1    Scheraga, H.A.2    Rackovsky, S.3
  • 10
    • 0031144465 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.78.3908, ();, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.473503 106, 4665 (1997).
    • A. F. Voter, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78. 3908 78, 3908 (1997); A. F. Voter, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.473503 106, 4665 (1997).
    • (1997) Phys. Rev. Lett. , vol.78 , pp. 3908
    • Voter, A.F.1    Voter, A.F.2
  • 12
    • 33646516485 scopus 로고
    • JSTPBS 0022-4715 10.1007/BF01016429.
    • C. Tsallis, J. Stat. Phys. JSTPBS 0022-4715 10.1007/BF01016429 52, 479 (1988).
    • (1988) J. Stat. Phys. , vol.52 , pp. 479
    • Tsallis, C.1
  • 13
    • 0038412705 scopus 로고    scopus 로고
    • MOSIEA 0892-7022 10.1080/08927020211975.
    • E. Darve, M. A. Wilson, and A. Pohorille, Mol. Simul. MOSIEA 0892-7022 10.1080/08927020211975 28, 113 (2002).
    • (2002) Mol. Simul. , vol.28 , pp. 113
    • Darve, E.1    Wilson, M.A.2    Pohorille, A.3
  • 14
    • 0034864528 scopus 로고    scopus 로고
    • BIPMAA 0006-3525 10.1002/1097-0282(2001)60:2<96::AID-BIP1007>3.0. CO;2-F.
    • A. Mitsutake, Y. Sugita, and Y. Okamoto, Biopolymers BIPMAA 0006-3525 10.1002/1097-0282(2001)60:2<96::AID-BIP1007>3.0.CO;2-F 60, 96 (2001).
    • (2001) Biopolymers , vol.60 , pp. 96
    • Mitsutake, A.1    Sugita, Y.2    Okamoto, Y.3
  • 15
    • 0342929614 scopus 로고
    • JCTPAH 0021-9991 10.1016/0021-9991(77)90121-8.
    • G. M. Torrie and J. P. Valleau, J. Comput. Phys. JCTPAH 0021-9991 10.1016/0021-9991(77)90121-8 23, 187 (1977).
    • (1977) J. Comput. Phys. , vol.23 , pp. 187
    • Torrie, G.M.1    Valleau, J.P.2
  • 16
    • 3142716857 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1755656, ();, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1942487 122, 241103 (2005);, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja0446707 127, 1969 (2005);, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja054338a 127, 13778 (2005).
    • D. Hamelberg, J. Mongan, and J. A. McCammon, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1755656 120, 11919 (2004); D. Hamelberg, T. Shen, and J. A. McCammon, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1942487 122, 241103 (2005); D. Hamelberg, T. Shen, and J. A. McCammon, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja0446707 127, 1969 (2005); D. Hamelberg and J. A. McCammon, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja054338a 127, 13778 (2005).
    • (2004) J. Chem. Phys. , vol.120 , pp. 11919
    • Hamelberg, D.1    Mongan, J.2    McCammon, J.A.3    Hamelberg, D.4    Shen, T.5    McCammon, J.A.6    Hamelberg, D.7    Shen, T.8    McCammon, J.A.9    Hamelberg, D.10    McCammon, J.A.11
  • 18
    • 33746634779 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.97.050601.
    • J. Kim, J. E. Straub, and T. Keyes, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.97.050601 97, 050601 (2006).
    • (2006) Phys. Rev. Lett. , vol.97 , pp. 050601
    • Kim, J.1    Straub, J.E.2    Keyes, T.3
  • 19
    • 33749006875 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.2244548.
    • Y. Q. Gao and L. J. Yang, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2244548 125, 114103 (2006).
    • (2006) J. Chem. Phys. , vol.125 , pp. 114103
    • Gao, Y.Q.1    Yang, L.J.2
  • 20
    • 34047148428 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.2709639.
    • L. J. Yang, M. P. Grubb, and Y. Q. Gao, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2709639 126, 125102 (2007).
    • (2007) J. Chem. Phys. , vol.126 , pp. 125102
    • Yang, L.J.1    Grubb, M.P.2    Gao, Y.Q.3
  • 21
    • 34548661295 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.2768062.
    • Y. Mu and Y. Q. Gao, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2768062 127, 105102 (2007).
    • (2007) J. Chem. Phys. , vol.127 , pp. 105102
    • Mu, Y.1    Gao, Y.Q.2
  • 22
    • 39349096750 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.2779325.
    • X. Fu, L. J. Yang, and Y. Q. Gao, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2779325 127, 154106 (2007).
    • (2007) J. Chem. Phys. , vol.127 , pp. 154106
    • Fu, X.1    Yang, L.J.2    Gao, Y.Q.3
  • 23
    • 39349083832 scopus 로고    scopus 로고
    • AMBER 8, University of California, San Francisco.
    • D. A. Case, AMBER 8, University of California, San Francisco, 2004.
    • (2004)
    • Case, D.A.1
  • 26
    • 0344778061 scopus 로고
    • JACSAT 0002-7863 10.1021/ja00172a038, ();, Biopolymers BIPMAA 0006-3525 10.1002/1097-0282(2000)56:4<275::AID-BIP10024>3.0.CO;2-E 56, 275 (2000).
    • W. C. Still, A. Tempczyk, R. C. Hawley, and T. Hendrickson, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja00172a038 112, 6127 (1990); V. Tsui and D. A. Case, Biopolymers BIPMAA 0006-3525 10.1002/1097-0282(2000)56:4<275::AID- BIP10024>3.0.CO;2-E 56, 275 (2000).
    • (1990) J. Am. Chem. Soc. , vol.112 , pp. 6127
    • Still, W.C.1    Tempczyk, A.2    Hawley, R.C.3    Hendrickson, T.4    Tsui, V.5    Case, D.A.6


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