AqvistやJorgensenらのLinear Response法に基づいたシミュレーションプログラムです。

リガンド-レセプタ間の結合自由エネルギーを短時間かつ高精度に評価できる新しいシミュレーションツールです。

MKC-442, a non-nucleoside inhibitor in clinical trials for the treatment of HIV/AIDS binding to the HIV-1RT active site.

【参考文献】: - Cochran, S.; Li, C.P.; Bytheway, I., "An Experimental and Molecular-Modeling Study of the Binding of Linked Sulfated Tetracyclitols to FGF-1 and FGF-2", ChemBioChem, 2005, 6, 1882-1890.; - Singh, P.; Mhaka, A. M.; Christensen, S. B.; Gray, J. J.; Denmeade, S. R.; Isaacs, J. T., "Applying Linear Interaction Energy Method for Rational Design of Noncompetitive Allosteric Inhibitors of the Sarco- and Endoplasmic Reticulum Calcium-ATPase", J. Med. Chem., 2005, 48, 3005-3014.; - Tounge, B. A.; Reynolds, C. H., "Calculation of the Binding Affinity of Β-Secretase Inhibitors Using the Linear Interaction Energy Method", J. Med. Chem., 2003, 46, 2074-2082.
【稼動環境】 Linux： OS RHEL 3.0 or 4.x, SUSE 9.0, SUSE SLED 9 or 10, CentOS 4.x, Red Hat Linux 7.3 or 9.0 Hardware x86-compatible processor, AMD, K6, Athlon, Opteron * MaestroはLinux, Windowsのみ対応

Linux：	OS	RHEL 3.0 or 4.x, SUSE 9.0, SUSE SLED 9 or 10, CentOS 4.x, Red Hat Linux 7.3 or 9.0
Linux：	Hardware	x86-compatible processor, AMD, K6, Athlon, Opteron