Automatic atom type and bond type perception in molecular mechanical calculations

Cornell, 1995, J. Am. Chem. Soc., 117, 5179, 10.1021/ja00124a002

Weiner, 1984, Am. Chem. Soc., 106, 765, 10.1021/ja00315a051

Wang, 2000, J. Comput. Chem., 21, 1049, 10.1002/1096-987X(200009)21:12<1049::AID-JCC3>3.0.CO;2-F

Wang, 2004, J. Comput. Chem., 25, 1157, 10.1002/jcc.20035

Burkert, 1982

Allinger, 1977, J. Am. Chem. Soc., 99, 8127, 10.1021/ja00467a001

Allinger, 1989, J. Am. Chem. Soc., 111, 8551, 10.1021/ja00205a001

Jorgensen, 1988, J. Am. Chem. Soc., 110, 1657, 10.1021/ja00214a001

Clark, 1989, J. Comput. Chem., 10, 982, 10.1002/jcc.540100804

Brooks, 1983, J. Comput. Chem., 4, 187, 10.1002/jcc.540040211

Lifson, 1979, J. Am. Chem. Soc., 101, 5111, 10.1021/ja00512a001

Hwang, 1994, J. Am. Chem. Soc., 116, 2515, 10.1021/ja00085a036

Momany, 1992, J. Comput. Chem., 13, 888, 10.1002/jcc.540130714

Mayo, 1990, J. Phys. Chem., 94, 8879, 10.1021/j100389a010

Rappé, 1992, J. Am. Chem. Soc., 114, 10024, 10.1021/ja00051a040

Halgren, 1996, J. Comput. Chem., 17, 490, 10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P

Halgren, 1996, J. Comput. Chem., 17, 520, 10.1002/(SICI)1096-987X(199604)17:5/6<520::AID-JCC2>3.0.CO;2-W

Halgren, 1996, J. Comput. Chem., 17, 553, 10.1002/(SICI)1096-987X(199604)17:5/6<553::AID-JCC3>3.0.CO;2-T

Halgren, 1996, J. Comput. Chem., 17, 587

Halgren, 1996, J. Comput. Chem., 17, 615

Halgren, 1999, J. Comput. Chem., 20, 730, 10.1002/(SICI)1096-987X(199905)20:7<730::AID-JCC8>3.0.CO;2-T

Bayly, 1993, J. Phys. Chem., 97, 10269, 10.1021/j100142a004

Cornell, 1993, J. Am. Chem. Soc., 9620, 10.1021/ja00074a030

Fox, 1998, J. Phys. Chem., 102, 8070, 10.1021/jp9717655

Cieplak, 1995, J. Comput. Chem., 16, 1357, 10.1002/jcc.540161106

Jakalian, 2000, J. Comput. Chem., 21, 132, 10.1002/(SICI)1096-987X(20000130)21:2<132::AID-JCC5>3.0.CO;2-P

Jakalian, 2002, J. Comput. Chem., 23, 1623, 10.1002/jcc.10128

Wang, 2000, J. Comput. Chem., 22, 1219, 10.1002/jcc.1079

Liang, 1996, J. Comput. Chem., 17, 940, 10.1002/(SICI)1096-987X(199606)17:8<940::AID-JCC3>3.0.CO;2-R

Norrby, 1998, J. Comput. Chem., 19, 1146, 10.1002/(SICI)1096-987X(19980730)19:10<1146::AID-JCC4>3.0.CO;2-M

Faller, 1999, J. Comput. Chem., 20, 1009, 10.1002/(SICI)1096-987X(19990730)20:10<1009::AID-JCC3>3.0.CO;2-C

Weininger, 1988, J. Chem. Inf. Comput. Sci., 28, 31, 10.1021/ci00057a005

Sybyl user's manuals, Tripos Inc., St. Louis, 2000.

Pedretti, 2003, Theor. Chem. Acc., 109, 229, 10.1007/s00214-002-0402-6

Walters, 1994

MDL Information Systems Inc., 2004.

Case, 2004

Wang, 2001, J. Phys. Chem., 105, 5055, 10.1021/jp0102318