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Page 1
Homology modeling with internal coordinate mechanics: deformation zone mapping and improvements of models via conformational search.
Abagyan R, Batalov S, Cardozo T, Totrov M, Webber J, Zhou Y. Abagyan R, et al. Among authors: totrov m. Proteins. 1997;Suppl 1:29-37. doi: 10.1002/(sici)1097-0134(1997)1+<29::aid-prot5>3.3.co;2-4. Proteins. 1997. PMID: 9485492
For all five low identity targets: (i) our starting models were improved by the Internal Coordinate Mechanics (ICM) energy optimization, (ii) the refined models were consistently better than those built with the automatic SWISS-MODEL program, and (iii) the refined models differed …
For all five low identity targets: (i) our starting models were improved by the Internal Coordinate Mechanics (ICM) energy optimization, (ii …
Molecular docking programs successfully predict the binding of a beta-lactamase inhibitory protein to TEM-1 beta-lactamase.
Strynadka NC, Eisenstein M, Katchalski-Katzir E, Shoichet BK, Kuntz ID, Abagyan R, Totrov M, Janin J, Cherfils J, Zimmerman F, Olson A, Duncan B, Rao M, Jackson R, Sternberg M, James MN. Strynadka NC, et al. Among authors: totrov m. Nat Struct Biol. 1996 Mar;3(3):233-9. doi: 10.1038/nsb0396-233. Nat Struct Biol. 1996. PMID: 8605624
Homology modeling by the ICM method.
Cardozo T, Totrov M, Abagyan R. Cardozo T, et al. Among authors: totrov m. Proteins. 1995 Nov;23(3):403-14. doi: 10.1002/prot.340230314. Proteins. 1995. PMID: 8710833
Flexible protein-ligand docking by global energy optimization in internal coordinates.
Totrov M, Abagyan R. Totrov M, et al. Proteins. 1997;Suppl 1:215-20. doi: 10.1002/(sici)1097-0134(1997)1+<215::aid-prot29>3.3.co;2-i. Proteins. 1997. PMID: 9485515
Eight protein-ligand complexes were simulated by using global optimization of a complex energy function, including solvation, surface tension, and side-chain entropy in the internal coordinate space of the flexible ligand and the receptor side chains [Abagyan, R.A., Totrov …
Eight protein-ligand complexes were simulated by using global optimization of a complex energy function, including solvation, surface tensio …
111 results