Structure-Based Ligand Design
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Klaus Gubernator | Paul R. Gerber | Clemens Broger | P. Gerber | C. Broger | T. Schaumann | K. Gubernator | K. Müller | Klaus Müller | Daniel Bur | D. Bur | D. M. Doran | Th. M. Schaumann
[1] Paul R. Gerber,et al. MAB, a generally applicable molecular force field for structure modelling in medicinal chemistry , 1995, J. Comput. Aided Mol. Des..
[2] K Gubernator,et al. Design and synthesis of potent and highly selective thrombin inhibitors. , 1994, Journal of medicinal chemistry.
[3] B R Schatz,et al. NCSA Mosaic and the World Wide Web: Global Hypermedia Protocols for the Internet , 1994, Science.
[4] G. Wider,et al. Determination of the NMR solution structure of the cyclophilin A-cyclosporin A complex , 1994, Journal of biomolecular NMR.
[5] T. Blundell,et al. X-ray analysis at 2.0 A resolution of mouse submaxillary renin complexed with a decapeptide inhibitor CH-66, based on the 4-16 fragment of rat angiotensinogen. , 1994, Journal of molecular biology.
[6] Paul A. Bartlett,et al. CAVEAT: A program to facilitate the design of organic molecules , 1994, J. Comput. Aided Mol. Des..
[7] N. Borkakoti,et al. Structure of the catalytic domain of human fibroblast collagenase complexed with an inhibitor , 1994, Nature Structural Biology.
[8] PatrickY.-S. Lam,et al. Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors. , 1994, Science.
[9] S. Schreiber,et al. Crystal structures of cyclophilin A complexed with cyclosporin A and N-methyl-4-[(E)-2-butenyl]-4,4-dimethylthreonine cyclosporin A. , 1994, Structure.
[10] A. Itai,et al. Confirmation of usefulness of a structure construction program based on three-dimensional receptor structure for rational lead generation. , 1993, Journal of medicinal chemistry.
[11] P. Gerber,et al. The Mechanisms of Action and Inhibition of Pancreatic Lipase and Acetylcholinesterase: A Comparative Modeling Study , 1993 .
[12] M. Karplus,et al. Multiple copy simultaneous search and construction of ligands in binding sites: application to inhibitors of HIV-1 aspartic proteinase. , 1993, Journal of medicinal chemistry.
[13] D. M. Ryan,et al. Rational design of potent sialidase-based inhibitors of influenza virus replication , 1993, Nature.
[14] R. Bryan,et al. The crystal structure of EcoRV endonuclease and of its complexes with cognate and non-cognate DNA fragments. , 1993 .
[15] I. Kuntz,et al. Structure-based discovery of inhibitors of thymidylate synthase. , 1993, Science.
[16] J. Sussman,et al. Relationship between sequence conservation and three‐dimensional structure in a large family of esterases, lipases, and related proteins , 1993, Protein science : a publication of the Protein Society.
[17] B. Testa,et al. Perspectives in Medicinal Chemistry , 1993 .
[18] R. Huber,et al. The structure of residues 7-16 of the A alpha-chain of human fibrinogen bound to bovine thrombin at 2.3-A resolution. , 1994, The Journal of biological chemistry.
[19] Don C. Wiley,et al. Atomic structure of a human MHC molecule presenting an influenza virus peptide , 1992, Nature.
[20] Paul R. Gerber,et al. Peptide mechanics: A force field for peptides and proteins working with entire residues as smallest units , 1992 .
[21] R. Huber,et al. Structure of astacin and implications for activation of astacins and zinc-ligation of collagenases , 1992, Nature.
[22] H Oschkinat,et al. The interaction of thrombin with fibrinogen. A structural basis for its specificity. , 1992, European journal of biochemistry.
[23] Hans-Joachim Böhm,et al. The computer program LUDI: A new method for the de novo design of enzyme inhibitors , 1992, J. Comput. Aided Mol. Des..
[24] D. Banner,et al. Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors. , 1994, The Journal of biological chemistry.
[25] W. Howe,et al. Computer design of bioactive molecules: A method for receptor‐based de novo ligand design , 1991, Proteins.
[26] S. Harrison,et al. A structural taxonomy of DNA-binding domains , 1991, Nature.
[27] A. Goldman,et al. Atomic structure of acetylcholinesterase from Torpedo californica: a prototypic acetylcholine-binding protein , 1991, Science.
[28] F. Winkler,et al. Refined crystal structure of beta-lactamase from Citrobacter freundii indicates a mechanism for beta-lactam hydrolysis. , 2001, Nature.
[29] J. Powers,et al. Reaction of porcine pancreatic elastase with 7-substituted 3-alkoxy-4-chloroisocoumarins: design of potent inhibitors using the crystal structure of the complex formed with 4-chloro-3-ethoxy-7-guanidinoisocoumarin. , 1990, Biochemistry.
[30] F. Winkler,et al. Structure of human pancreatic lipase , 1990, Nature.
[31] J. Frère,et al. β‐Lactamase of Bacillus licheniformis 749/C at 2 Å resolution , 1990 .
[32] F. Winkler,et al. Refined crystal structure of β-lactamase from Citrobacter freundiiindicates a mechanism for β-lactam hydrolysis , 1990, Nature.
[33] H. Scheraga,et al. High-resolution NMR studies of fibrinogen-like peptides in solution: interaction of thrombin with residues 1-23 of the A alpha chain of human fibrinogen. , 1989, Biochemistry.
[34] Klaus Gubernator,et al. Generic shapes for the conformation analysis of macrocyclic structures , 1988 .
[35] F. Winkler,et al. Crystal structure of human dihydrofolate reductase complexed with folate. , 1988, European journal of biochemistry.
[36] J A McCammon,et al. Computer-aided molecular design. , 1987, Science.
[37] J Deisenhofer,et al. Structure of the complex formed by bovine trypsin and bovine pancreatic trypsin inhibitor. II. Crystallographic refinement at 1.9 A resolution. , 1974, Journal of molecular biology.
[38] R. Huber,et al. Structure of the complex formed by bovine trypsin and bovine pancreatic trypsin inhibitor. Crystal structure determination and stereochemistry of the contact region. , 1973, Journal of molecular biology.