-
1
-
-
74149094591
-
Synthetic therapeutic peptides: Science and market
-
Vlieghe P, Lisowski V, Martinez J, Khrestchatisky M. Synthetic therapeutic peptides: Science and market. Drug Discov. Today 15, 40-56 (2010).
-
(2010)
Drug Discov. Today
, vol.15
, pp. 40-56
-
-
Vlieghe, P.1
Lisowski, V.2
Martinez, J.3
Khrestchatisky, M.4
-
2
-
-
77949472320
-
The synergistic use of computation, chemistry and biology to discover novel peptide-based drugs: The time is right
-
Audie J, Boyd C. The synergistic use of computation, chemistry and biology to discover novel peptide-based drugs: The time is right. Curr. Pharm. Des. 16, 567-582 (2010).
-
(2010)
Curr. Pharm. Des.
, vol.16
, pp. 567-582
-
-
Audie, J.1
Boyd, C.2
-
3
-
-
84857411069
-
Designing antimicrobial peptides: Form follows function
-
Fjell CD, Hiss JA, Hancock REW, Schneider G. Designing antimicrobial peptides: Form follows function. Nat. Rev. Drug Discov. 11, 37-51 (2011).
-
(2011)
Nat. Rev. Drug Discov.
, vol.11
, pp. 37-51
-
-
Fjell, C.D.1
Hiss, J.A.2
Hancock, R.E.W.3
Schneider, G.4
-
4
-
-
82455174207
-
Screening of large molecule diversities by phage display
-
Rentero I, Heinis C. Screening of large molecule diversities by phage display. Chimia 65, 843-845 (2011).
-
(2011)
Chimia
, vol.65
, pp. 843-845
-
-
Rentero, I.1
Heinis, C.2
-
5
-
-
77957017501
-
Phage display: Concept, innovations, applications and future
-
Pande J, Szewczyk MM, Grover AK. Phage display: Concept, innovations, applications and future. Biotechnol. Adv. 28, 849-858 (2010).
-
(2010)
Biotechnol. Adv.
, vol.28
, pp. 849-858
-
-
Pande, J.1
Szewczyk, M.M.2
Grover, A.K.3
-
6
-
-
0032514619
-
Peptide design by artificial neural networks and computer-based evolutionary search
-
Schneider G, Schrödel W, Wallukat G et al. Peptide design by artificial neural networks and computer-based evolutionary search. Proc. Natl Acad. Sci. USA 95, 12179-12184 (1998).
-
(1998)
Proc. Natl Acad. Sci. USA
, vol.95
, pp. 12179-12184
-
-
Schneider, G.1
Schrödel, W.2
Wallukat, G.3
-
9
-
-
57849156863
-
Voyages to the (un)known: Adaptive design of bioactive compounds
-
Schneider G, Hartenfeller M, Reutlinger M, Tanrikulu Y, Proschak E, Schneider P. Voyages to the (un)known: Adaptive design of bioactive compounds. Trends Biotechnol. 27, 18-26 (2009).
-
(2009)
Trends Biotechnol.
, vol.27
, pp. 18-26
-
-
Schneider, G.1
Hartenfeller, M.2
Reutlinger, M.3
Tanrikulu, Y.4
Proschak, E.5
Schneider, P.6
-
11
-
-
78049500819
-
Concepts and applications of natural computing techniques in de novo drug and peptide design
-
Hiss JA, Hartenfeller M, Schneider G. Concepts and applications of natural computing techniques in de novo drug and peptide design. Curr. Pharm. Des. 16, 1656-1665 (2010).
-
(2010)
Curr. Pharm. Des.
, vol.16
, pp. 1656-1665
-
-
Hiss, J.A.1
Hartenfeller, M.2
Schneider, G.3
-
12
-
-
33947661426
-
An ant algorithm for the conformational analysis of flexible molecules
-
Daeyaert F, De Jonge M, Koymans L, Vinkers M. An ant algorithm for the conformational analysis of flexible molecules. J. Comput. Chem. 28, 890-898 (2007).
-
(2007)
J. Comput. Chem.
, vol.28
, pp. 890-898
-
-
Daeyaert, F.1
De Jonge, M.2
Koymans, L.3
Vinkers, M.4
-
13
-
-
84901418243
-
Ant colony optimization: A new meta-heuristic
-
Dorigo M, Di Caro G. Ant colony optimization: A new meta-heuristic. Proc. CEC 99 2, 1470-1477 (1999).
-
(1999)
Proc. CEC
, vol.99
, Issue.2
, pp. 1470-1477
-
-
Dorigo, M.1
Di Caro, G.2
-
14
-
-
27644543634
-
Ant colony optimization theory: A survey
-
Dorigo M, Blum C. Ant colony optimization theory: A survey. Theor. Comput. Sci. 344, 243-278 (2005).
-
(2005)
Theor. Comput. Sci.
, vol.344
, pp. 243-278
-
-
Dorigo, M.1
Blum, C.2
-
15
-
-
0242467732
-
Collection of bioactive reference compounds for focused library design
-
Schneider P, Schneider G. Collection of bioactive reference compounds for focused library design. QSAR Comb. Sci. 22, 713-718 (2003).
-
(2003)
QSAR Comb. Sci.
, vol.22
, pp. 713-718
-
-
Schneider, P.1
Schneider, G.2
-
16
-
-
84879540457
-
Scrutinizing MHC-I binding peptides and their limits of variation
-
Koch CP, Perna AM, Pillong M et al. Scrutinizing MHC-I binding peptides and their limits of variation. PLoS Comput. Biol. 9, e1003088 (2013).
-
(2013)
PLoS Comput. Biol.
, vol.9
-
-
Koch, C.P.1
Perna, A.M.2
Pillong, M.3
-
17
-
-
84884621458
-
Exhaustive proteome mining for functional MHC-I ligands
-
Koch CP, Perna AM, Weissmüller S et al. Exhaustive proteome mining for functional MHC-I ligands. ACS Chem. Biol. 8, 1876-1881 (2013).
-
(2013)
ACS Chem. Biol.
, vol.8
, pp. 1876-1881
-
-
Koch, C.P.1
Perna, A.M.2
Weissmüller, S.3
-
18
-
-
0033388725
-
Syfpeithi database for MHC ligands and peptide motifs
-
Rammensee HG, Bachmann J, Emmerich NPN, Bachor OA, Stevanović S. SYFPEITHI: Database for MHC ligands and peptide motifs. Immunogenetics 50, 213-219 (1999).
-
(1999)
Immunogenetics
, vol.50
, pp. 213-219
-
-
Rammensee, H.G.1
Bachmann, J.2
Emmerich, N.P.N.3
Bachor, O.A.4
Stevanović, S.5
-
19
-
-
0031735526
-
Artificial neural networks for computer-based molecular design
-
Schneider G, Wrede P. Artificial neural networks for computer-based molecular design. Prog. Biophys. Mol. Biol. 70, 175-222 (1998).
-
(1998)
Prog. Biophys. Mol. Biol.
, vol.70
, pp. 175-222
-
-
Schneider, G.1
Wrede, P.2
-
20
-
-
85032996208
-
Stochastic neighbor embedding
-
Hinton G, Roweis S. Stochastic neighbor embedding. NIPS 15, 833-840 (2002).
-
(2002)
NIPS
, vol.15
, pp. 833-840
-
-
Hinton, G.1
Roweis, S.2
-
21
-
-
84856782646
-
Nonlinear dimensionality reduction and mapping of compound libraries for drug discovery
-
Reutlinger M, Schneider G. Nonlinear dimensionality reduction and mapping of compound libraries for drug discovery. J. Mol. Graph. Model. 108-117 (2012).
-
(2012)
J. Mol. Graph. Model.
, pp. 108-117
-
-
Reutlinger, M.1
Schneider, G.2
-
22
-
-
0025008168
-
Sequence logos: A new way to display consensus sequences
-
Schneider TD, Stephens RM. Sequence logos: A new way to display consensus sequences. Nucleic Acids Res. 18, 6097-6100 (1990).
-
(1990)
Nucleic Acids Res.
, vol.18
, pp. 6097-6100
-
-
Schneider, T.D.1
Stephens, R.M.2
-
23
-
-
0029803742
-
Molecular basis for the recognition of two structurally different major histocompatibility complex/peptide complexes by a single T-cell receptor
-
Brock R, Wiesmüller KH, Jung G, Walden P. Molecular basis for the recognition of two structurally different major histocompatibility complex/peptide complexes by a single T-cell receptor. Proc. Natl Acad. Sci. USA 93, 13108-13113 (1996).
-
(1996)
Proc. Natl Acad. Sci. USA
, vol.93
, pp. 13108-13113
-
-
Brock, R.1
Wiesmüller, K.H.2
Jung, G.3
Walden, P.4
-
24
-
-
0025944429
-
Exact prediction of a natural T cell epitope
-
Rötzschke O, Falk K, Stevanović S, Jung G, Walden P, Rammensee HG. Exact prediction of a natural T cell epitope. Eur. J. Immunol. 21, 2891-2894 (1991).
-
(1991)
Eur. J. Immunol.
, vol.21
, pp. 2891-2894
-
-
Rötzschke, O.1
Falk, K.2
Stevanović, S.3
Jung, G.4
Walden, P.5
Rammensee, H.G.6
-
26
-
-
0001521573
-
Versuche mit Isonitrilen
-
Ugi I, Meyr R, Fetzer U, Steinbrückner C. Versuche mit Isonitrilen. Angew. Chem. 71, 386 (1959).
-
(1959)
Angew. Chem.
, vol.71
, pp. 386
-
-
Ugi, I.1
Meyr, R.2
Fetzer, U.3
Steinbrückner, C.4
-
27
-
-
50849087128
-
Catalytic three-component Ugi reaction
-
Pan SC, List B. Catalytic three-component Ugi reaction. Angew. Chem. Int. Ed. 47, 3622-3625 (2008).
-
(2008)
Angew. Chem. Int. E.d.
, vol.47
, pp. 3622-3625
-
-
Pan, S.C.1
List, B.2
-
28
-
-
33748976088
-
Directed evolution of trypsin inhibiting peptides using a genetic algorithm
-
Yokobayashi Y, Ikebukuro K, McNiven S, Karube I. Directed evolution of trypsin inhibiting peptides using a genetic algorithm. J. Chem. Soc. Perkin Trans. 1, 2435-2437 (1996).
-
(1996)
J. Chem. Soc. Perkin Trans.
, vol.1
, pp. 2435-2437
-
-
Yokobayashi, Y.1
Ikebukuro, K.2
McNiven, S.3
Karube, I.4
-
29
-
-
33749842822
-
Optimization of the biological activity of combinatorial compound libraries by a genetic algorithm
-
Weber L, Wallbaum S, Gubernator K, Broger C. Optimization of the biological activity of combinatorial compound libraries by a genetic algorithm. Angew. Chem. Int. Ed. 34, 2280-2282 (1995).
-
(1995)
Angew. Chem. Int. E.d.
, vol.34
, pp. 2280-2282
-
-
Weber, L.1
Wallbaum, S.2
Gubernator, K.3
Broger, C.4
-
30
-
-
33646265985
-
Flux (1): A virtual synthesis scheme for fragment-based de novo design
-
Fechner U, Schneider G. Flux (1): A virtual synthesis scheme for fragment-based de novo design. J. Chem. Inf. Model. 46, 699-707 (2006).
-
(2006)
J. Chem. Inf. Model.
, Issue.46
, pp. 699-707
-
-
Fechner, U.1
Schneider, G.2
-
31
-
-
20844452733
-
Thrombin inhibitors identified by computer-Assisted multiparameter design
-
Riester D, Wirsching F, Salinas G et al. Thrombin inhibitors identified by computer-Assisted multiparameter design. Proc. Natl Acad. Sci. USA 102, 8597-8602 (2005).
-
(2005)
Proc. Natl Acad. Sci. USA
, vol.102
, pp. 8597-8602
-
-
Riester, D.1
Wirsching, F.2
Salinas, G.3
-
32
-
-
79956150472
-
New synthetic thrombin inhibitors: Molecular design and experimental verification
-
Sinauridze EI, Romanov AN, Gribkova IV et al. New synthetic thrombin inhibitors: Molecular design and experimental verification. PLoS ONE 6, e19969 2011.
-
(2011)
PLoS ONE
, vol.6
-
-
Sinauridze, E.I.1
Romanov, A.N.2
Gribkova, I.V.3
-
33
-
-
0034131234
-
Simulated molecular evolution in a full combinatorial library
-
Illgen K, Enderle T, Broger C, Weber L. Simulated molecular evolution in a full combinatorial library. Chem. Biol. 7, 433-441 (2000).
-
(2000)
Chem. Biol.
, vol.7
, pp. 433-441
-
-
Illgen, K.1
Enderle, T.2
Broger, C.3
Weber, L.4
-
34
-
-
0347601836
-
A versatile synthesis of 6-oxo-1 4 5 6-Tetrahydro-pyrazine-2-carboxylic acid methyl esters via MCR chemistry
-
Illgen K, Nerdinger S, Fuchs T, Friedrich C, Weber L, Herdtweck E. A versatile synthesis of 6-oxo-1, 4, 5, 6-Tetrahydro-pyrazine-2-carboxylic acid methyl esters via MCR chemistry. Synlett 15, 53-56 (2004).
-
(2004)
Synlett
, vol.15
, pp. 53-56
-
-
Illgen, K.1
Nerdinger, S.2
Fuchs, T.3
Friedrich, C.4
Weber, L.5
Herdtweck, E.6
-
36
-
-
49449112269
-
Identification of hits and lead structure candidates with limited resources by adaptive optimization
-
Schüller A, Schneider G. Identification of hits and lead structure candidates with limited resources by adaptive optimization. J. Chem. Inf. Model. 48, 1473-1491 (2008).
-
(2008)
J. Chem. Inf. Model.
, vol.48
, pp. 1473-1491
-
-
Schüller, A.1
Schneider, G.2
-
37
-
-
0000191614
-
Stochastic algorithms for maximizing molecular diversity
-
Agrafiotis DK. Stochastic algorithms for maximizing molecular diversity. J. Chem. Inf. Comput. Sci. 37, 841-851 (1997).
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 841-851
-
-
Agrafiotis, D.K.1
-
38
-
-
0032587975
-
Rational combinatorial library design 3 simulated annealing guided evaluation sage) of molecular diversity: A novel computational tool for universal library design and database mining
-
Zheng W, Cho SJ, Waller CL, Tropsha A. Rational combinatorial library design. 3. Simulated Annealing Guided Evaluation (SAGE) of molecular diversity: A novel computational tool for universal library design and database mining. J. Chem. Inf. Comput. Sci. 39, 738-746 (1999).
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 738-746
-
-
Zheng, W.1
Cho, S.J.2
Waller, C.L.3
Tropsha, A.4
-
41
-
-
0031122887
-
Ant colony system: A cooperative learning approach to the traveling salesman problem
-
Dorigo M, Gambardella LM. Ant colony system: A cooperative learning approach to the traveling salesman problem. IEEE Trans. Evol. Comput. 1, 53-66 (1997).
-
(1997)
IEEE Trans Evol. Comput.
, vol.1
, pp. 53-66
-
-
Dorigo, M.1
Gambardella, L.M.2
-
42
-
-
34249753618
-
Support-vector networks
-
Cortes C, Vapnik V. Support-vector networks. Mach. Learn. 20, 273-297 (1995).
-
(1995)
Mach. Learn.
, vol.20
, pp. 273-297
-
-
Cortes, C.1
Vapnik, V.2
-
43
-
-
0022471098
-
Learning representations by back-propagating errors
-
Rumelhart DE, Hintont GE, Williams RJ. Learning representations by back-propagating errors. Nature 323, 533-536 (1986).
-
(1986)
Nature
, vol.323
, pp. 533-536
-
-
Rumelhart, D.E.1
Hintont, G.E.2
Williams, R.J.3
-
45
-
-
2142738304
-
WebLogo: A sequence logo generator
-
Crooks GE, Hon G, Chandonia M, Brenner SE. WebLogo: A sequence logo generator. Genome Res. 14, 1188-1190 (2004).
-
(2004)
Genome Res.
, vol.14
, pp. 1188-1190
-
-
Crooks, G.E.1
Hon, G.2
Chandonia, M.3
Brenner, S.E.4
-
46
-
-
0028880698
-
Tolerance to amino acid variations in peptides binding to the major histocompatibility complex class i protein H-2Kb
-
Udaka K, Wiesmüller KH, Kienle S, Jung G, Walden P. Tolerance to amino acid variations in peptides binding to the major histocompatibility complex class I protein H-2Kb. J. Biol. Chem. 270, 24130-24134 (1995).
-
(1995)
J. Biol. Chem.
, vol.270
, pp. 24130-24134
-
-
Udaka, K.1
Wiesmüller, K.H.2
Kienle, S.3
Jung, G.4
Walden, P.5
-
47
-
-
0022317963
-
Host resistance directed selectively against H-2-deficient lymphoma variants Analysis of the mechanism
-
Ljunggren HG, Kärre K. Host resistance directed selectively against H-2-deficient lymphoma variants. Analysis of the mechanism. J. Exp. Med. 162, 1745-1759 (1985).
-
(1985)
J. Exp. Med.
, vol.162
, pp. 1745-1759
-
-
Ljunggren, H.G.1
Kärre, K.2
-
48
-
-
0001947535
-
-
In: Immune System. Steinberg CM, Lefkovits I (Eds). S Karger AG, Basel, Switzerland
-
Köhler G, Fischer Lindahl K, Heusser C. Characterization of a monoclonal anti-H-2Kb antibody. In: Immune System. Steinberg CM, Lefkovits I (Eds). S Karger AG, Basel, Switzerland, 202 (1981).
-
(1981)
Characterization of A Monoclonal anti-H-2Kb Antibody
, vol.202
-
-
Köhler, G.1
Fischer Lindahl, K.2
Heusser, C.3
-
50
-
-
34047232962
-
Design of MHC i stabilizing peptides by agent-based exploration of sequence space
-
Hiss JA, Bredenbeck A, Losch FO, Wrede P, Walden P, Schneider G. Design of MHC I stabilizing peptides by agent-based exploration of sequence space. Protein Eng. Des. Sel. 20, 99-108 (2007).
-
(2007)
Protein Eng. Des. Sel.
, vol.20
, pp. 99-108
-
-
Hiss, J.A.1
Bredenbeck, A.2
Losch, F.O.3
Wrede, P.4
Walden, P.5
Schneider, G.6
-
51
-
-
77952664270
-
Attractors in sequence space: Agent-based exploration of MHC i binding peptides
-
Jäger N, Wisniewska JM, Hiss JA et al. Attractors in sequence space: Agent-based exploration of MHC I binding peptides. Mol. Inf. 29, 65-74 (2010).
-
(2010)
Mol. Inf.
, vol.29
, pp. 65-74
-
-
Jäger, N.1
Wisniewska, J.M.2
Hiss, J.A.3
|