-
3
-
-
0036646055
-
Structure of coronavirus main proteinase reveals combination of a chymotrypsin fold with an extra αhelical domain
-
Anand K, Palm GJ, Mesters JR, Siddell SG, Ziebuhr J, Hilgenfeld R, et al. Structure of coronavirus main proteinase reveals combination of a chymotrypsin fold with an extra αhelical domain. EMBO J 2002; 21: 3213-24.
-
(2002)
EMBO J
, vol.21
, pp. 3213-3224
-
-
Anand, K.1
Palm, G.J.2
Mesters, J.R.3
Siddell, S.G.4
Ziebuhr, J.5
Hilgenfeld, R.6
-
5
-
-
0027968068
-
CLUSTAL W: Improving the sensitivity of progressive multiple sequence alignment through sequence weighting, position-specific gap penalties and weight matrix choice
-
Thompson JD, Higgins DG, Gibson TJ. CLUSTAL W: improving the sensitivity of progressive multiple sequence alignment through sequence weighting, position-specific gap penalties and weight matrix choice. Nucleic Acids Res 1994; 22: 4673-80.
-
(1994)
Nucleic Acids Res
, vol.22
, pp. 4673-4680
-
-
Thompson, J.D.1
Higgins, D.G.2
Gibson, T.J.3
-
6
-
-
0027136282
-
Comparative protein modelling by satisfaction of spatial restraints
-
Sali A, Blundell TL. Comparative protein modelling by satisfaction of spatial restraints. J Mol Biol 1993; 234: 779-815.
-
(1993)
J Mol Biol
, vol.234
, pp. 779-815
-
-
Sali, A.1
Blundell, T.L.2
-
7
-
-
0029011701
-
A Second generation force field for the simulation of proteins, nucleic acids, and organic molecules
-
Cornell WD, Cieplak DP, Bayly CI, Gould IR, Merz KM, Ferguson DM, et al. A Second generation force field for the simulation of proteins, nucleic acids, and organic molecules. J Am Chem Soc 1995; 117: 5179-97.
-
(1995)
J Am Chem Soc
, vol.117
, pp. 5179-5197
-
-
Cornell, W.D.1
Cieplak, D.P.2
Bayly, C.I.3
Gould, I.R.4
Merz, K.M.5
Ferguson, D.M.6
-
8
-
-
0025830469
-
A method to identify protein sequences that fold into a known three-dimensional structure
-
Bowie JU, Luthy R, Eisenberg D. A method to identify protein sequences that fold into a known three-dimensional structure. Science 1991; 253: 164-70.
-
(1991)
Science
, vol.253
, pp. 164-170
-
-
Bowie, J.U.1
Luthy, R.2
Eisenberg, D.3
-
10
-
-
0035765452
-
Small molecule docking and scoring
-
Lipkowitz KB, Boyd DB, editors. New York: John Wiley & Sons
-
Muegge I, Rarey M. Small molecule docking and scoring. In: Reviews in Computational Chemistry, Vol. 17. Lipkowitz KB, Boyd DB, editors. New York: John Wiley & Sons; 2001. p1-60.
-
(2001)
Reviews in Computational Chemistry
, vol.17
, pp. 1-60
-
-
Muegge, I.1
Rarey, M.2
-
11
-
-
6244283606
-
Critical evaluation of search algorithms for automated molecular docking and database screening
-
Ewing T, Kuntz ID. Critical evaluation of search algorithms for automated molecular docking and database screening. J Comput Chem 1997; 18: 1175-89.
-
(1997)
J Comput Chem
, vol.18
, pp. 1175-1189
-
-
Ewing, T.1
Kuntz, I.D.2
-
12
-
-
0026730489
-
Structure-based strategies for drug design and discovery
-
Kuntz ID. Structure-based strategies for drug design and discovery. Science 1992; 257, 1078-82.
-
(1992)
Science
, vol.257
, pp. 1078-1082
-
-
Kuntz, I.D.1
-
13
-
-
49149147973
-
Iterative partial equalization of orbital electronegativity-A rapid access to atomic charges
-
Gasteiger J, Marsili M. Iterative partial equalization of orbital electronegativity-A rapid access to atomic charges, Tetrahedron 1980; 36: 3219-28.
-
(1980)
Tetrahedron
, vol.36
, pp. 3219-3228
-
-
Gasteiger, J.1
Marsili, M.2
-
14
-
-
0000939786
-
p charge distribution from molecular topology and p orbital electronegativity
-
Marsili M, Gasteriger J. p Charge distribution from molecular topology and p orbital electronegativity. Croat Chem Acta 1980; 53: 601-14.
-
(1980)
Croat Chem Acta
, vol.53
, pp. 601-614
-
-
Marsili, M.1
Gasteriger, J.2
-
15
-
-
33751578897
-
Brief review and table of semiempirical parameters used in the Hückel molecular orbital method
-
Purcell WP, Singer JA. Brief review and table of semiempirical parameters used in the Hückel molecular orbital method. J Chem Eng Data 1967; 12: 235-46.
-
(1967)
J Chem Eng Data
, vol.12
, pp. 235-246
-
-
Purcell, W.P.1
Singer, J.A.2
-
16
-
-
0036136868
-
Consensus scoring for ligand/protein interactions
-
Clark RD, Strizhev A, Leonard JM, Blake JF, Matthew JB. Consensus scoring for ligand/protein interactions. J Mol Graph Model 2002; 20: 281-95.
-
(2002)
J Mol Graph Model
, vol.20
, pp. 281-295
-
-
Clark, R.D.1
Strizhev, A.2
Leonard, J.M.3
Blake, J.F.4
Matthew, J.B.5
-
17
-
-
11644261806
-
Automated docking using Lamarckian genetic algorithm and empirical binding free energy function
-
Morris GM, Goodsell DS, Halliday RS, Huey R, Hart WE. Automated docking using Lamarckian genetic algorithm and empirical binding free energy function. J Comput Chem 1998; 19: 1639-62.
-
(1998)
J Comput Chem
, vol.19
, pp. 1639-1662
-
-
Morris, G.M.1
Goodsell, D.S.2
Halliday, R.S.3
Huey, R.4
Hart, W.E.5
-
18
-
-
0025183708
-
Basic local alignment search tool
-
Altschul SF, Gish W, Miller W, Myers EW, Lipman DJ. Basic local alignment search tool. J Mol Biol 1990; 215: 403-10.
-
(1990)
J Mol Biol
, vol.215
, pp. 403-410
-
-
Altschul, S.F.1
Gish, W.2
Miller, W.3
Myers, E.W.4
Lipman, D.J.5
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