-
2
-
-
77954563522
-
-
Tripos, Inc., Accessed 3 Jan 2009
-
Masek BB, Clark RD, Yu Y, Smith K, Pearlman RS (2005) Hi fidelity chemistry. Tripos, Inc. http://www.bagim.org/presentation-files/06-03-15-Brian- Masek/HiFi-Chemistry.pdf. Accessed 3 Jan 2009
-
(2005)
Hi Fidelity Chemistry
-
-
Masek, B.B.1
Clark, R.D.2
Yu, Y.3
Smith, K.4
Pearlman, R.S.5
-
3
-
-
33845779764
-
-
Oellien F, Cramer J, Beyer C, Ihlenfeldt W-D, Selzer PM (2006) J Chem Inf Model 46:2342-2354
-
(2006)
J Chem Inf Model
, vol.46
, pp. 2342-2354
-
-
Oellien, F.1
Cramer, J.2
Beyer, C.3
Ihlenfeldt, W.-D.4
Selzer, P.M.5
-
5
-
-
61949390938
-
-
Milletti F, Stochi L, Sforna G, Cross S, Cruciani G (2009) J Chem Inf Model 49:68-75
-
(2009)
J Chem Inf Model
, vol.49
, pp. 68-75
-
-
Milletti, F.1
Stochi, L.2
Sforna, G.3
Cross, S.4
Cruciani, G.5
-
13
-
-
64249111225
-
-
Wu Z-H, Ma J-P, Wu X-W, Huang R-Q, Dong Y-B (2009) Acta Crystallogr Sect C Cryst Struct Commun 65:o128-o130
-
(2009)
Acta Crystallogr Sect C Cryst Struct Commun
, vol.65
, pp. 128-130
-
-
Wu, Z.-H.1
Ma, J.-P.2
Wu, X.-W.3
Huang, R.-Q.4
Dong, Y.-B.5
-
14
-
-
77954564587
-
-
Academic Press, New York
-
Elgureo J, Marzin C, Katritzky AR, Linda P (1976) Advances in heterocyclic chemistry supplement 1: the tautomerism of het-erocycles. Academic Press, New York, pp 302-303
-
(1976)
Advances in Heterocyclic Chemistry Supplement 1
, pp. 302-303
-
-
Elgureo, J.1
Marzin, C.2
Katritzky, A.R.3
Linda, P.4
-
17
-
-
0035907237
-
-
Brandstetter H, Grams F, Glitz D, Lang A, Huber R, Bode W, Krell H-W, Engh RA (2001) J Biol Chem 276:17405-17412
-
(2001)
J Biol Chem
, vol.276
, pp. 17405-17412
-
-
Brandstetter, H.1
Grams, F.2
Glitz, D.3
Lang, A.4
Huber, R.5
Bode, W.6
Krell, H.-W.7
Engh, R.A.8
-
19
-
-
0032053455
-
-
Yan XJ, Day P, Hollis T, Monzingo AF, Schelp E, Robertus JD, Milne GWA, Wang SM (1998) Proteins Struct Funct Genet 31:33-41
-
(1998)
Proteins Struct Funct Genet
, vol.31
, pp. 33-41
-
-
Yan, X.J.1
Day, P.2
Hollis, T.3
Monzingo, A.F.4
Schelp, E.5
Robertus, J.D.6
Gwa, M.7
Wang, S.M.8
-
20
-
-
0037147768
-
-
Furet P, Meyer T, Strauss A, Raccuglia S, Rondeau J-M (2002) Bioorg Med Chem Lett 12:221-224
-
(2002)
Bioorg Med Chem Lett
, vol.12
, pp. 221-224
-
-
Furet, P.1
Meyer, T.2
Strauss, A.3
Raccuglia, S.4
Rondeau, J.-M.5
-
21
-
-
33745699182
-
-
Dinges J, Ashworth KL, Akritopolou-Zanze I, Arnold LD, Bau-meister SA, Bousquet PF, Cunha GA, Davidsen SK, Djuric SW, Gracias VJ, Michaelides MR, Rafferty P, Sowin TJ, Stewart KD, Xia Z, Zhang HQ (2006) Bioorg Med Chem Lett 16:4266-4271
-
(2006)
Bioorg Med Chem Lett
, vol.16
, pp. 4266-4271
-
-
Dinges, J.1
Ashworth, K.L.2
Akritopolou-Zanze, I.3
Arnold, L.D.4
Bau-Meister, S.A.5
Bousquet, P.F.6
Cunha, G.A.7
Davidsen, S.K.8
Djuric, S.W.9
Gracias, V.J.10
Michaelides, M.R.11
Rafferty, P.12
Sowin, T.J.13
Stewart, K.D.14
Xia, Z.15
Zhang, H.Q.16
-
22
-
-
29744466285
-
-
Ho CY, Ludovici DW, Maharoof USM, Mei J, Sechler JL, Tu-man RW, Strobel ED, Andraka L, Yen H-K, Leo G, Li J, Almond H, Lu H, DeVine A, Tominovich RM, Baker J, Emanuel S, Gruninger RH, Middleton SA, Johnson DL, Galemmo RA Jr (2005) J Med Chem 48:8163-8173
-
(2005)
J Med Chem
, vol.48
, pp. 8163-8173
-
-
Ho, C.Y.1
Ludovici, D.W.2
Maharoof, U.S.M.3
Mei, J.4
Sechler, J.L.5
Tu-Man, R.W.6
Strobel, E.D.7
Andraka, L.8
Yen, H.-K.9
Leo, G.10
Li, J.11
Almond, H.12
Lu, H.13
Devine, A.14
Tominovich, R.M.15
Baker, J.16
Emanuel, S.17
Gruninger, R.H.18
Middleton, S.A.19
Johnson, D.L.20
Galemmo Jr., R.A.21
more..
-
23
-
-
0033535983
-
-
Taylor AB, Johnson WH, Czerwinski RM, Li H-S, Hackert ML, Whitman CP (1999) Biochemistry 38:7444-7452
-
(1999)
Biochemistry
, vol.38
, pp. 7444-7452
-
-
Taylor, A.B.1
Johnson, W.H.2
Czerwinski, R.M.3
Li, H.-S.4
Hackert, M.L.5
Whitman, C.P.6
-
27
-
-
0032472224
-
-
Rozwarski DA, Grant GA, Barton DHR, Jacobs WRJ Jr, Sacchettini JC (1998) Science 279:98-102
-
(1998)
Science
, vol.279
, pp. 98-102
-
-
Rozwarski, D.A.1
Grant, G.A.2
Barton, D.H.R.3
Jacobs Jr., W.R.J.4
Sacchettini, J.C.5
-
28
-
-
34250688766
-
-
Delaine T, Bernardes-Genisson V, Stigliani J-L, Gornitzka H, Meunier B, Bernadou J (2007) Eur J Org Chem 2007:1624-1630
-
(2007)
Eur J Org Chem 2007
, pp. 1624-1630
-
-
Delaine, T.1
Bernardes-Genisson, V.2
Stigliani, J.-L.3
Gornitzka, H.4
Meunier, B.5
Bernadou, J.6
-
29
-
-
55949093998
-
-
Stigliani J-L, Arnaud P, Delaine T, Bernardes-Génisson V, Meunier B, Bernadou J (2008) J Mol Graphics Modell 27:536-545
-
(2008)
J Mol Graphics Modell
, vol.27
, pp. 536-545
-
-
Stigliani, J.-L.1
Arnaud, P.2
Delaine, T.3
Bernardes-Génisson, V.4
Meunier, B.5
Bernadou, J.6
-
30
-
-
27644456343
-
-
Dupradeau FY, Case DA, Yu C, Jimenez R, Romesberg FE (2005) J Am Chem Soc 127:15612-15617
-
(2005)
J Am Chem Soc
, vol.127
, pp. 15612-15617
-
-
Dupradeau, F.Y.1
Case, D.A.2
Yu, C.3
Jimenez, R.4
Romesberg, F.E.5
-
31
-
-
77954565278
-
-
http, Accessed 4 May 2008
-
Pilot P (2008) Scitegic chemistry components Accelrys. http://accelrys.com/products/datasheets/chemistry-component-collection. pdf. Accessed 4 May 2008
-
(2008)
Scitegic Chemistry Components Accelrys
-
-
Pilot, P.1
-
33
-
-
0036667456
-
-
Jang YH, Goddard WA III, Noyes KT, Sowers LC, Hwang S, Chung DS (2002) Chem Res Toxicol 15:1023-1035
-
(2002)
Chem Res Toxicol
, vol.15
, pp. 1023-1035
-
-
Jang, Y.H.1
Goddard Iii, W.A.2
Noyes, K.T.3
Sowers, L.C.4
Hwang, S.5
Chung, D.S.6
-
36
-
-
65949087195
-
Tautomer generation. pKa based dominance conditions for generating dominant tautomers
-
Aug 19-23, 2007., Accessed 30 April 2009
-
Szegezdi J, Csizmadia F (2007) Tautomer generation. pKa based dominance conditions for generating dominant tautomers. American Chemical Society Fall meeting, Aug 19-23, 2007. http://www.chemaxon.com/conf/Tautomer-generation-A4. pdf. Accessed 30 April 2009
-
(2007)
American Chemical Society Fall Meeting
-
-
Szegezdi, J.1
Csizmadia, F.2
-
40
-
-
0002537828
-
-
Mezey PG, Tapia O, Bertrán J (eds), Springer, Dortrecht
-
Cramer CJ, Truhlar DG (1996) In: Mezey PG, Tapia O, Bertrán J (eds) Solvent effects and chemical reactivity. Springer, Dortrecht, pp 1-80
-
(1996)
Solvent Effects and Chemical Reactivity
, pp. 1-80
-
-
Cramer, C.J.1
Truhlar, D.G.2
-
42
-
-
0346616688
-
-
Koskinen JT, Koskinen M, Mutikainen I, Mannfors B, Elo H (1996) Z Naturforsch A Phys Sci 511771-1778
-
(1996)
Z Naturforsch A Phys Sci
, vol.51
, pp. 1771-1778
-
-
Koskinen, J.T.1
Koskinen, M.2
Mutikainen, I.3
Mannfors, B.4
Elo, H.5
-
47
-
-
6344279912
-
-
Godsi O, Turner B, Suwinska K, Peskin U, Eichen Y (2004) J Am Chem Soc 12613519-13525
-
(2004)
J Am Chem Soc
, vol.126
, pp. 13519-13525
-
-
Godsi, O.1
Turner, B.2
Suwinska, K.3
Peskin, U.4
Eichen, Y.5
-
58
-
-
77954564728
-
-
Accessed 25 July 2009
-
(2009) Pubchem. National Institutes of Health. http://pubchem.ncbi.nlm. nih.gov/. Accessed 25 July 2009
-
(2009)
-
-
-
59
-
-
77954564031
-
-
Accessed 25 July 2009
-
(2009) Chemspider. http://www.chemspider.com/. Accessed 25 July 2009
-
(2009)
-
-
-
60
-
-
45749116266
-
-
Muchmore SW, Debe DA, Metz JT, Brown SP, Martin YC, Hajduk PJ (2008) J Chem Inf Model 48:941-948
-
(2008)
J Chem Inf Model
, vol.48
, pp. 941-948
-
-
Muchmore, S.W.1
Debe, D.A.2
Metz, J.T.3
Brown, S.P.4
Martin, Y.C.5
Hajduk, P.J.6
-
61
-
-
0003792915
-
-
American Chemical Society, Washington DC
-
Hansch C, Leo A (1995) Exploring QSAR: fundamentals and applications in chemistry and biology. American Chemical Society, Washington DC
-
(1995)
Exploring QSAR
-
-
Hansch, C.1
Leo, A.2
-
66
-
-
0011769713
-
-
Hart JC, Burton NA, Hillier IH, Harrison MJ, Jewsbury P (1997) Chem Commun 1431-1432
-
(1997)
Chem Commun
, pp. 1431-1432
-
-
Hart, J.C.1
Burton, N.A.2
Hillier, I.H.3
Harrison, M.J.4
Jewsbury, P.5
-
68
-
-
9644302571
-
-
Khandelwal A, Lukacova V, Kroll DM, Comez D, Raha S, Balaz S (2004) QSAR Comb Sci 23:754-766
-
(2004)
QSAR Comb Sci
, vol.23
, pp. 754-766
-
-
Khandelwal, A.1
Lukacova, V.2
Kroll, D.M.3
Comez, D.4
Raha, S.5
Balaz, S.6
-
73
-
-
77954563203
-
-
Accessed 27 July 2009
-
Stewart JJP (2001) Mopac 2002 manual. Fujitsu Ltd. http://www.cache. fujitsu.com/mopac/Mopac2002manual/index.html. Accessed 27 July 2009
-
(2001)
Mopac 2002 Manual
-
-
Jjp, S.1
|