-
9
-
-
0026730489
-
-
Kuntz I D, Science, 257 (1992) 1078.
-
(1992)
Science
, vol.257
, pp. 1078
-
-
Kuntz, I.D.1
-
11
-
-
33645377447
-
-
Latha N, Jain T, Sharma P & Jayaram B, J Biomol Sruct Dyn, 21 (2004) 6.
-
(2004)
J Biomol Sruct Dyn
, vol.21
, pp. 6
-
-
Latha, N.1
Jain, T.2
Sharma, P.3
Jayaram, B.4
-
13
-
-
0029633186
-
-
Pearlman D A, Case D A, Caldwell J W, Ross W S, Cheatham III T E, DeBolt S, Ferguson D, Seibel G & Kollman P, Comput Phys Commun, 91 (1995) 1.
-
(1995)
Comput Phys Commun
, vol.91
, pp. 1
-
-
Pearlman, D.A.1
Case, D.A.2
Caldwell, J.W.3
Ross, W.S.4
Cheatham III, T.E.5
DeBolt, S.6
Ferguson, D.7
Seibel, G.8
Kollman, P.9
-
14
-
-
84893169025
-
-
Schmidt M W, Baldridge K K, Boatz J A, Elbert S T, Gordon M S, Jensen J S, Koseki S, Nguyen K A, Su S, Windus T L, Dupuis M & Montgomery J A, GAMESS J Comp Chem, 14 (1993) 1347.
-
(1993)
GAMESS J Comp Chem
, vol.14
, pp. 1347
-
-
Schmidt, M.W.1
Baldridge, K.K.2
Boatz, J.A.3
Elbert, S.T.4
Gordon, M.S.5
Jensen, J.S.6
Koseki, S.7
Nguyen, K.A.8
Su, S.9
Windus, T.L.10
Dupuis, M.11
Montgomery, J.A.12
-
16
-
-
0038042482
-
-
Merlot C, Domine D, Cleva C & Church D J, Drug Discov Today, 8 (2003) 594.
-
(2003)
Drug Discov Today
, vol.8
, pp. 594
-
-
Merlot, C.1
Domine, D.2
Cleva, C.3
Church, D.J.4
-
17
-
-
0842341771
-
-
Dewar M J S, Zoebisch E G, Healyand E F & Stewart J J P, J Am Chem Soc, 107 (1985) 3902.
-
(1985)
J Am Chem Soc
, vol.107
, pp. 3902
-
-
Dewar, M.J.S.1
Zoebisch, E.G.2
Healyand, E.F.3
Stewart, J.J.P.4
-
18
-
-
3042524904
-
-
Bayly C I, Cieplak P, Cornell W D & Kollman P A, J Phys Chem, 97 (1993) 10269.
-
(1993)
J Phys Chem
, vol.97
, pp. 10269
-
-
Bayly, C.I.1
Cieplak, P.2
Cornell, W.D.3
Kollman, P.A.4
-
19
-
-
33645365705
-
-
Cornell W D, Cieplak P, Bayly C I, Gould I R, Merz K M, Ferguson D M, Spellmeyer D C, Fox T, Caldwell J W & Kollman P A, J Am Chem Soc, 117 (1995) 5479.
-
(1995)
J Am Chem Soc
, vol.117
, pp. 5479
-
-
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
-
-
0033954256
-
-
Berman H M, Westbrook J, Feng Z, Gilliland G, Bhat T N, Weissig H, Shindyalov I N & Bourne P E, Nucl Acids Res, 28 (2000) 235.
-
(2000)
Nucl Acids Res
, vol.28
, pp. 235
-
-
Berman, H.M.1
Westbrook, J.2
Feng, Z.3
Gilliland, G.4
Bhat, T.N.5
Weissig, H.6
Shindyalov, I.N.7
Bourne, P.E.8
-
24
-
-
0031024171
-
-
Lipinsky C A, Lombardo F, Dominy B W & Feeney P J, Adv Drug Del Rev, 23 (1997) 3.
-
(1997)
Adv Drug del Rev
, vol.23
, pp. 3
-
-
Lipinsky, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
26
-
-
0037030653
-
-
Veber D F, Johnson S R, Cheng H Y, Smith B R, Ward K W & Kopple K D, J Med Chem, 45 (2002) 2615.
-
(2002)
J Med Chem
, vol.45
, pp. 2615
-
-
Veber, D.F.1
Johnson, S.R.2
Cheng, H.Y.3
Smith, B.R.4
Ward, K.W.5
Kopple, K.D.6
-
29
-
-
0023936327
-
-
DesJarlais R L, Sheridan R P, Seibel G L, Dixon S & Kuntz I D, J Med Chem, 31 (1998) 722.
-
(1998)
J Med Chem
, vol.31
, pp. 722
-
-
DesJarlais, R.L.1
Sheridan, R.P.2
Seibel, G.L.3
Dixon, S.4
Kuntz, I.D.5
-
30
-
-
11644261806
-
-
Morris G M, Goodsell D S, Halliday R S, Huey R, Hart W E, Belew R K & Olson A, J Comput Chem, 19 (1998) 1639.
-
(1998)
J Comput Chem
, vol.19
, pp. 1639
-
-
Morris, G.M.1
Goodsell, D.S.2
Halliday, R.S.3
Huey, R.4
Hart, W.E.5
Belew, R.K.6
Olson, A.7
-
37
-
-
0030461132
-
-
Kurumbail R G, Stevans A M, Gierse J K, McDonald J J, Stegeman A R, Pak J Y, Gildehaus D, Iyashiro J M, Penning T D, Siebert K, Isakson P C & Stallings W C, Nature, 384 (1996) 644.
-
(1996)
Nature
, vol.384
, pp. 644
-
-
Kurumbail, R.G.1
Stevans, A.M.2
Gierse, J.K.3
McDonald, J.J.4
Stegeman, A.R.5
Pak, J.Y.6
Gildehaus, D.7
Iyashiro, J.M.8
Penning, T.D.9
Siebert, K.10
Isakson, P.C.11
Stallings, W.C.12
-
42
-
-
0242500887
-
-
Soliva R, Almansa C, Kalko S G, Luque F J & Orozco M J, J Med Chem, 46 (2003) 1372.
-
(2003)
J Med Chem
, vol.46
, pp. 1372
-
-
Soliva, R.1
Almansa, C.2
Kalko, S.G.3
Luque, F.J.4
Orozco, M.J.5
-
45
-
-
0033739763
-
-
Kalra P, Das A, Dixit S B & Jayaram B, Indian J Chem, 39A (2000) 262.
-
(2000)
Indian J Chem
, vol.39
, pp. 262
-
-
Kalra, P.1
Das, A.2
Dixit, S.B.3
Jayaram, B.4
-
47
-
-
0035260277
-
-
Madhu Sudhan M S, Vishveshwara S, Das A, Kalra P & Jayaram B, Indian J Biochem Biophy, 38 (2001) 27.
-
(2001)
Indian J Biochem Biophy
, vol.38
, pp. 27
-
-
Madhu Sudhan, M.S.1
Vishveshwara, S.2
Das, A.3
Kalra, P.4
Jayaram, B.5
-
49
-
-
0037079572
-
-
Jayaram B, McConnell K J, Dixit S B, Das A & Beveridge D L, J Comput Chem, 23 (2002) 1.
-
(2002)
J Comput Chem
, vol.23
, pp. 1
-
-
Jayaram, B.1
McConnell, K.J.2
Dixit, S.B.3
Das, A.4
Beveridge, D.L.5
-
50
-
-
0001101548
-
-
Jayaram B, McConnell K J, Dixit S B & Beveridge D L, J Comput Phys, 151 (1999) 333.
-
(1999)
J Comput Phys
, vol.151
, pp. 333
-
-
Jayaram, B.1
McConnell, K.J.2
Dixit, S.B.3
Beveridge, D.L.4
|