Molecular docking programs successfully predict the binding of a beta-lactamase inhibitory protein to TEM-1 beta-lactamase
Strynadka, N C, Eisenstein, M, Katchalski-Katzir, E, Shoichet, B K, Kuntz, I D, Abagyan, R, Totrov, M, Janin, J, Cherfils, J, Zimmerman, F, Olson, A, Duncan, B, Rao, M, Jackson, R, Sternberg, M, James, M N
Published in Nature structural biology (01.03.1996)
Published in Nature structural biology (01.03.1996)
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Calculation of protein tertiary structure
Kuntz, I.D., Crippen, G.M., Kollman, P.A., Kimelman, D.
Published in Journal of molecular biology (05.10.1976)
Published in Journal of molecular biology (05.10.1976)
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Structure of a non-peptide inhibitor complexed with HIV-1 protease. Developing a cycle of structure-based drug design
RUTENBER, E, FAUMAN, E. B, ROSE, J. R, CRAIK, C. S, STROUD, R. M, KEENAN, R. J, FONG, S, FURTH, P. S, ORTIZ DE MONTELLANO, P. R, MENG, E, KUNTZ, I. D, DECAMP, D. L, SALTO, R
Published in The Journal of biological chemistry (25.07.1993)
Published in The Journal of biological chemistry (25.07.1993)
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Leishmania major:Molecular Modeling of Cysteine Proteases and Prediction of New Nonpeptide Inhibitors
Selzer, Paul M., Chen, Xiaowu, Chan, Victor J., Cheng, Maosheng, Kenyon, George L., Kuntz, I.D., Sakanari, Judy A., Cohen, Fred E., McKerrow, James H.
Published in Experimental parasitology (01.11.1997)
Published in Experimental parasitology (01.11.1997)
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Rational Design of Novel Antimicrobials: Blocking Purine Salvage in a Parasitic Protozoan
Somoza, John R, Skillman, A. Geoffrey, Munagala, Narsimha R, Oshiro, C. M, Knegtel, Ronald M. A, Mpoke, Solomon, Fletterick, Robert J, Kuntz, Irwin D, Wang, Ching C
Published in Biochemistry (Easton) (21.04.1998)
Published in Biochemistry (Easton) (21.04.1998)
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Turn prediction in proteins using a pattern-matching approach
Cohen, F. E, Abarbanel, R. M, Kuntz, I. D, Fletterick, R. J
Published in Biochemistry (Easton) (1986)
Published in Biochemistry (Easton) (1986)
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Solution Structure of the GTPase Activating Domain of α s
Benjamin, D.R., Markby, D.W., Bourne, H.R., Kuntz, I.D.
Published in Journal of molecular biology (08.12.1995)
Published in Journal of molecular biology (08.12.1995)
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Computational studies of the interaction of myoglobin and xenon
Tilton, R.F., Singh, U.C., Weiner, S.J., Connolly, M.L., Kuntz, I.D., Kollman, P.A., Max, N., Case, D.A.
Published in Journal of molecular biology (20.11.1986)
Published in Journal of molecular biology (20.11.1986)
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Protein-ligand dynamics
Tilton, R.F., Singh, U.C., Kuntz, I.D., Kollman, P.A.
Published in Journal of molecular biology (01.01.1988)
Published in Journal of molecular biology (01.01.1988)
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Protein-ligand dynamics: A 96 picosecond simulation of a myoglobin-xenon complex
Tilton, R.F., Singh, U.C., Kuntz, I.D., Kollman, P.A.
Published in Journal of molecular biology (05.01.1988)
Published in Journal of molecular biology (05.01.1988)
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Secondary structure assignment for .alpha./.beta. proteins by a combinatorial approach
Cohen, Fred E, Abarbanel, Robert M, Kuntz, I. D, Fletterick, Robert J
Published in Biochemistry (Easton) (01.01.1983)
Published in Biochemistry (Easton) (01.01.1983)
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Time-resolved circular dichroism and absorption studies of the photolysis reaction of (carbonmonoxy)myoglobin
Milder, S.J., Bjorling, S.C., Kuntz, I.D., Kliger, D.S.
Published in Biophysical journal (01.05.1988)
Published in Biophysical journal (01.05.1988)
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