Molecular dynamics simulation study of PTP1B with allosteric inhibitor and its application in receptor based pharmacophore modeling

Kavitha Bharatham, Nagakumar Bharatham, Yong Jung Kwon, Keun-Woo Lee. Molecular dynamics simulation study of PTP1B with allosteric inhibitor and its application in receptor based pharmacophore modeling. Journal of Computer-Aided Molecular Design, 22(12):925-933, 2008. [doi]

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