James W. Caldwell - researchr alias

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Viewing Publication 1 - 4 from 4

2005

Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, and David A. Case, Development and testing of a general amber force field Journal of Computational Chemistry(2004) 25(9) 1157-1174Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, David A. Case. jcc, 26(1):114, 2005. [doi]

2004

Development and testing of a general amber force fieldJunmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, David A. Case. jcc, 25(9):1157-1174, 2004. [doi]

2003

A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculationsYong Duan, Chun Wu, Shibasish Chowdhury, Mathew C. Lee, Guoming Xiong, Wei Zhang, Rong Yang, Piotr Cieplak, Ray Luo, Taisung Lee, James W. Caldwell, Junmei Wang, Peter A. Kollman. jcc, 24(16):1999-2012, 2003. [doi]

2001

Molecular mechanical models for organic and biological systems going beyond the atom centered two body additive approximation: aqueous solution free energies of methanol and N-methyl acetamide, nucleic acid base, and amide hydrogen bonding and chloroform/Piotr Cieplak, James W. Caldwell, Peter A. Kollman. jcc, 22(10):1048-1057, 2001. [doi]

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