-
2
-
-
0000189651
-
Density-functional thermochemistry. 3. The role of exact exchange
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
6
-
-
84890021933
-
The calculations of small molecular interaction by the difference of separate total energies. Some procedures with reduced error
-
(1970)
Mol. Phys.
, vol.19
, pp. 553-566
-
-
Boys, S.F.1
Bernardi, F.2
-
10
-
-
0004268506
-
-
University of California, San Francisco
-
(2000)
AMBER 6
-
-
Case, D.A.1
Pearlman, D.A.2
Caldwell, J.W.3
Cheatham III, T.E.4
Ross, W.S.5
Simmerling, C.L.6
Darden, T.A.7
Merz, K.M.8
Stanton, R.V.9
Cheng, A.L.10
Vincent, J.J.11
Crowley, M.12
Ferguson, D.M.13
Radmer, R.J.14
Seibel, G.L.15
Singh, U.C.16
Weiner, P.K.17
Kollman, P.A.18
-
13
-
-
0029011701
-
A second generation force field for the simulation of proteins, nucleic acids, and organic molecules
-
(1995)
J. Am. Chem. Soc.
, vol.117
, 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
-
14
-
-
0001216964
-
A second generation force field for the simulation of proteins, nucleic acids, and organic molecules
-
(1996)
J. Am. Chem. Soc.
, vol.117
, pp. 2309
-
-
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
-
20
-
-
84870538517
-
-
Gaussian, Inc., Pittsburgh, PA
-
(1998)
Gaussian 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..
-
28
-
-
0033560881
-
Structural basis for recognition of the tra mRNA precursor by the sex-lethal protein
-
(1999)
Nature
, vol.398
, pp. 579-585
-
-
Honda, N.1
Nureki, O.2
Kurimoto, K.3
Kim, I.4
Sakamoto, H.5
Shimura, Y.6
Muto, Y.7
Yokoyama, S.8
-
29
-
-
0034703014
-
Functional importance of the A1a116-Pro136 region in the calcium-sensing receptor. Constitutive activity and inverse agonism in a family C G-protein coupled receptor
-
(2000)
J. Biol. Chem.
, vol.276
, pp. 10110-10118
-
-
Jensen, A.A.1
Spalding, T.A.2
Burstein, E.S.3
Sheppard, P.O.4
O'Hara, P.J.5
Brann, M.R.6
Krogsgaard-Larsen, P.7
Brauner-Osborne, H.8
-
35
-
-
0027315727
-
RNA recognition: A family matter?
-
(1993)
Cell
, vol.73
, pp. 837-840
-
-
Mattaj, I.W.1
-
44
-
-
0034646574
-
Structure and thermodynamics of RNA-protein binding: Using molecular dynamics and free energy analyses to calculate the free energies of binding and conformational change
-
(2000)
J. Mol. Biol.
, vol.297
, pp. 1145-1158
-
-
Reyes, C.M.1
Kollman, P.A.2
-
55
-
-
0032838372
-
Molecular dynamics simulations of the complex between human U1A protein and hairpin II of U1 small nuclear RNA and of free RNA in solution
-
(1999)
Biophys. J.
, vol.77
, pp. 1284-1305
-
-
Tang, Y.1
Nilsson, L.2
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