-
1
-
-
0002015005
-
A survey of methods for searching the conformational space of small and medium-sized molecules
-
K.B. Lipkowitz, D.B. Boyd (Eds.), VCH
-
A.R. Leach, A survey of methods for searching the conformational space of small and medium-sized molecules, in: K.B. Lipkowitz, D.B. Boyd (Eds.), Reviews in Computational Chemistry, vol. 2, VCH, 1991, p. 1.
-
(1991)
Reviews in Computational Chemistry
, vol.2
, pp. 1
-
-
Leach, A.R.1
-
3
-
-
0000100670
-
-
P.I. Nagy, D.A. Smith, G. Alagona, C. Ghio, J. Phys. Chem. 98 (1994) 486.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 486
-
-
Nagy, P.I.1
Smith, D.A.2
Alagona, G.3
Ghio, C.4
-
4
-
-
0027397351
-
-
C.A. Maggi, R. Patacchini, P. Rovero, A. Giachetti, J. Auton. Pharmacol. 13 (1993) 23.
-
(1993)
J. Auton. Pharmacol.
, vol.13
, pp. 23
-
-
Maggi, C.A.1
Patacchini, R.2
Rovero, P.3
Giachetti, A.4
-
5
-
-
84962368367
-
-
Tripos Associates, St. Louis, MO 63144-2913, USA
-
Tripos Associates, St. Louis, MO 63144-2913, USA.
-
-
-
-
6
-
-
0004300890
-
-
University of California, San Francisco, CA
-
D.A. Pearlman, D.A. Case, J.C. Caldwell, G.L. Seibel, U. Chandra Singh, P. Weiner, P.A. Kollman, AMBER 4.0, University of California, San Francisco, CA, 1991.
-
(1991)
AMBER 4.0
-
-
Pearlman, D.A.1
Case, D.A.2
Caldwell, J.C.3
Seibel, G.L.4
Singh, U.C.5
Weiner, P.6
Kollman, P.A.7
-
7
-
-
0021757436
-
-
S.J. Weiner, P.A. Kollman, D.A. Case, U. Chandra Singh, C. Ghio, G. Alagona, S. Profeta Jr., , P. Weiner, J. Am. Chem. Soc. 106 (1984) 765.
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 765
-
-
Weiner, S.J.1
Kollman, P.A.2
Case, D.A.3
Singh, U.C.4
Ghio, C.5
Alagona, G.6
Profeta S., Jr.7
Weiner, P.8
-
8
-
-
84988053694
-
-
S.J. Weiner, P.A. Kollman, D.T. Nguyen, D.A. Case, J. Comput. Chem. 7 (1986) 230.
-
(1986)
J. Comput. Chem.
, vol.7
, pp. 230
-
-
Weiner, S.J.1
Kollman, P.A.2
Nguyen, D.T.3
Case, D.A.4
-
16
-
-
84887525551
-
-
Gaussian, Inc., Pittsburgh, PA
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.W. Wong, J.B. Foresman, M.A. Robb, M. Head-Gordon, E.S. Replogle, R. Gomperts, J.L. Andres, K. Raghavachari, J.S. Binkley, C. Gonzalez, R.L. Martin, D.J. Fox, D.J. Defrees, J. Baker, J.J.P. Stewart, J.A. Pople, GAUSSIAN 92/DFT, Revision G.2, Gaussian, Inc., Pittsburgh, PA, 1993.
-
(1993)
GAUSSIAN 92/DFT, Revision G.2
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Wong, M.W.6
Foresman, J.B.7
Robb, M.A.8
Head-Gordon, M.9
Replogle, E.S.10
Gomperts, R.11
Andres, J.L.12
Raghavachari, K.13
Binkley, J.S.14
Gonzalez, C.15
Martin, R.L.16
Fox, D.J.17
Defrees, D.J.18
Baker, J.19
Stewart, J.J.P.20
Pople, J.A.21
more..
-
17
-
-
84962368350
-
-
R. Bonaccorsi, R. Cammi, ICQEM-CNR, Pisa, Italy
-
C. Ghio, MGPIPC (point charge version of MGPISA, R. Bonaccorsi, R. Cammi), ICQEM-CNR, Pisa, Italy, 1991.
-
(1991)
MGPIPC Point Charge Version of MGPISA
-
-
Ghio, C.1
-
18
-
-
84962350774
-
-
BIOSYM Technologies, Inc., San Diego, CA 92121-2777, USA
-
DISCOVER/INSIGHT II, BIOSYM Technologies, Inc., San Diego, CA 92121-2777, USA, 1990.
-
(1990)
DISCOVER/INSIGHT II
, vol.2
-
-
-
19
-
-
84962360072
-
-
Computer Graphics Lab., School of Pharmacy, University of California, San Francisco, CA 94143, USA
-
MIDASPLUS, Computer Graphics Lab., School of Pharmacy, University of California, San Francisco, CA 94143, USA, 1992.
-
(1992)
MIDASPLUS
-
-
-
21
-
-
37049085389
-
-
V. Pavone, A. Lombardi, F. Nastri, M. Saviano, O. Maglio, G. D'Auria, L. Quartara, C.A. Maggi, C. Pedone, J. Chem. Soc., Perkin Trans. 2 (1995) 987.
-
(1995)
J. Chem. Soc., Perkin Trans.
, vol.2
, pp. 987
-
-
Pavone, V.1
Lombardi, A.2
Nastri, F.3
Saviano, M.4
Maglio, O.5
D'Auria, G.6
Quartara, L.7
Maggi, C.A.8
Pedone, C.9
-
22
-
-
84962394376
-
-
personal communication
-
A. Giolitti, personal communication, 1996.
-
(1996)
-
-
Giolitti, A.1
-
24
-
-
85050528342
-
Semiempirical molecular orbital methods
-
K.B. Lipkowitz, D.B. Boyd (Eds.), VCH
-
J.J.P. Stewart, Semiempirical molecular orbital methods, in: K.B. Lipkowitz, D.B. Boyd (Eds.), Reviews in Computational Chemistry, vol. 1, VCH, 1990, p. 45.
-
(1990)
Reviews in Computational Chemistry
, vol.1
, pp. 45
-
-
Stewart, J.J.P.1
-
25
-
-
84962411134
-
Semiempirical molecular orbital methods
-
K.B. Lipkowitz, D.B. Boyd (Eds.), VCH
-
M.C. Zerner, Semiempirical molecular orbital methods, in: K.B. Lipkowitz, D.B. Boyd (Eds.), Reviews in Computational Chemistry, vol. 2, VCH, 1991, p. 313.
-
(1991)
Reviews in Computational Chemistry
, vol.2
, pp. 313
-
-
Zerner, M.C.1
-
29
-
-
84962425012
-
-
G. Alagona, R. Bonaccorsi, C. Ghio, J. Tomasi, J. Mol. Struct. (Theochem) 135 (1986) 39.
-
(1986)
J. Mol. Struct. (Theochem)
, vol.135
, pp. 39
-
-
Alagona, G.1
Bonaccorsi, R.2
Ghio, C.3
Tomasi, J.4
-
30
-
-
84962374090
-
-
G. Alagona, R. Bonaccorsi, C. Ghio, J. Tomasi, J. Mol. Struct. (Theochem) 137 (1986) 263.
-
(1986)
J. Mol. Struct. (Theochem)
, vol.137
, pp. 263
-
-
Alagona, G.1
Bonaccorsi, R.2
Ghio, C.3
Tomasi, J.4
|