Chemical Structure Similarity Search for Ligand-based Virtual Screening: Methods and Computational Resources
Yan, Xin, Liao, Chenzhong, Liu, Zhihong, Hagler, Arnold T, Gu, Qiong, Xu, Jun
Published in Current drug targets (01.01.2016)
Published in Current drug targets (01.01.2016)
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Journal Article
An ab Initio CFF93 All-Atom Force Field for Polycarbonates
Sun, Huai, Mumby, Stephen J, Maple, Jon R, Hagler, Arnold T
Published in Journal of the American Chemical Society (01.04.1994)
Published in Journal of the American Chemical Society (01.04.1994)
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Journal Article
Keeping it in the family: folding studies of related proteins
Gunasekaran, Kannan, Eyles, Stephen J, Hagler, Arnold T, Gierasch, Lila M
Published in Current Opinion in Structural Biology (01.02.2001)
Published in Current Opinion in Structural Biology (01.02.2001)
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Book Review
Journal Article
Derivation of Class II Force Fields. 4. van der Waals Parameters of Alkali Metal Cations and Halide Anions
Peng, Zhengwei, Ewig, Carl S, Hwang, Ming-Jing, Waldman, Marvin, Hagler, Arnold T
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.09.1997)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.09.1997)
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Journal Article
Structure and energetics of ligand binding to proteins: Escherichia coli dihydrofolate reductase-trimethoprim, a drug-receptor system
Dauber-Osguthorpe, P, Roberts, V A, Osguthorpe, D J, Wolff, J, Genest, M, Hagler, A T
Published in Proteins, structure, function, and bioinformatics (1988)
Published in Proteins, structure, function, and bioinformatics (1988)
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Journal Article
Nature of the primary photoexcitations in poly(arylene-vinylenes)
Pakbaz, K., Lee, C.H., Heeger, A.J., Hagler, T.W., McBranch, D.
Published in Synthetic metals (01.06.1994)
Published in Synthetic metals (01.06.1994)
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Journal Article
Derivation of class II force fields. VIII. Derivation of a general quantum mechanical force field for organic compounds
Ewig, Carl S., Berry, Rajiv, Dinur, Uri, Hill, Jörg-Rüdiger, Hwang, Ming-Jing, Li, Haiying, Liang, Chris, Maple, Jon, Peng, Zhengwei, Stockfisch, Thomas P., Thacher, Thomas S., Yan, Lisa, Ni, Xiangshan, Hagler, Arnold T.
Published in Journal of computational chemistry (30.11.2001)
Published in Journal of computational chemistry (30.11.2001)
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Journal Article
Pancreatic panniculitis
Marsh, R. de W., Hagler, K.T., Carag, H.R., Flowers, F.P.
Published in European journal of surgical oncology (01.12.2005)
Published in European journal of surgical oncology (01.12.2005)
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Journal Article