Knowledge-based annotation of small molecule binding sites in proteins |
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Authors: | Ratna R Thangudu Manoj Tyagi Benjamin A Shoemaker Stephen H Bryant Anna R Panchenko Thomas Madej |
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Affiliation: | (1) National Center for Biotechnology Information, 8600 Rockville Pike, Building 38A, Bethesda, MD 20894, USA |
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Abstract: | Background The study of protein-small molecule interactions is vital for understanding protein function and for practical applications in drug discovery. To benefit from the rapidly increasing structural data, it is essential to improve the tools that enable large scale binding site prediction with greater emphasis on their biological validity. |
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