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James Andrew McCammon:
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Publications of Author
- Piotr Bala, Pawel Grochowski, Krzysztof Nowinski, Terry W. Clark, Bogdan Lesyng, James Andrew McCammon
Advanced Calculations and Visualization of Enzymatic Reactions with the Combined Quantum Classical Molecular Dynamics Code. [Citation Graph (0, 0)][DBLP] PARA, 1998, pp:20-27 [Conf]
- Terry W. Clark, James Andrew McCammon, L. Ridgway Scott
Parallel Molecular Dynamics. [Citation Graph (0, 0)][DBLP] PPSC, 1991, pp:338-344 [Conf]
- Piotr Bala, Terry W. Clark, Pawel Grochowski, Bogdan Lesyng, James Andrew McCammon
Parallel Version of a Quantum Classical Molecular Dynamics Code for Complex Molecular and Biomolecular Systems. [Citation Graph (0, 0)][DBLP] PVM/MPI, 1997, pp:409-416 [Conf]
- Terry W. Clark, L. Ridgway Scott, Stanislaw Wloked, James Andrew McCammon
I/O Limitations in Parallel Molecular Dynamics. [Citation Graph (0, 0)][DBLP] SC, 1995, pp:- [Conf]
- Piotr Bala, Palo Grochowski, Bogdan Lesyng, James Andrew McCammon
Quantum-classical Molecular Dynamics and Its Computer Implementation. [Citation Graph (0, 0)][DBLP] Computers & Chemistry, 1995, v:19, n:3, pp:155-160 [Journal]
- Terry W. Clark, James Andrew McCammon
Parallelization of a molecular dynamics non-bonded force algorithm for MIMD architecture. [Citation Graph (0, 0)][DBLP] Computers & Chemistry, 1990, v:14, n:3, pp:219-224 [Journal]
- Stephen C. Harvey, James Andrew McCammon
Macromolecular conformational energy minimization: An algorithm varying pseudodihedral angles. [Citation Graph (0, 0)][DBLP] Computers & Chemistry, 1982, v:6, n:4, pp:173-179 [Journal]
- Michael J. Mitchell, James Andrew McCammon
Vector Optimization of Amber 3.0On the NEC SX-2/400Supercomputer. [Citation Graph (0, 0)][DBLP] Computers & Chemistry, 1991, v:15, n:1, pp:79-85 [Journal]
- Bhalachandra L. Tembre, James Andrew McCammon
Ligand-receptor interactions. [Citation Graph (0, 0)][DBLP] Computers & Chemistry, 1984, v:8, n:4, pp:281-283 [Journal]
- Nathan A. Baker, David Sept, Michael J. Holst, James Andrew McCammon
The adaptive multilevel finite element solution of the Poisson-Boltzmann equation on massively parallel computers. [Citation Graph (0, 0)][DBLP] IBM Journal of Research and Development, 2001, v:45, n:3, pp:427-438 [Journal]
- Tjerk P. Straatsma, James Andrew McCammon
Load balancing of molecular dynamics simulation with NWChem. [Citation Graph (0, 0)][DBLP] IBM Systems Journal, 2001, v:40, n:2, pp:328-341 [Journal]
- Jan Antosiewicz, James M. Briggs, Adrian H. Elcock, Michael K. Gilson, James Andrew McCammon
Computing ionization states of proteins with a detailed charge model. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1996, v:17, n:14, pp:1633-1644 [Journal]
- Micahel K. Golson, James Andrew McCammon, Jeffrey D. Madura
Molecular Dynamics Simulation with a Comtinuum Electrostatic Model of the Solvent. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1995, v:16, n:9, pp:1081-1095 [Journal]
- Richard H. Henchman, James Andrew McCammon
Extracting hydration sites around proteins from explicit water simulations. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2002, v:23, n:9, pp:861-869 [Journal]
- Brock A. Luty, Zelda R. Wasserman, Pieter F. W. Stouten, C. Nicholas Hodge, Martin Zacharias, James Andrew McCammon
A Molecular Mechanics/Grid Method for Evaluation of Ligand-Receptor Interactions. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1995, v:16, n:4, pp:454-464 [Journal]
- Michael J. Potter, Paul D. Kirchhoff, Heather A. Carlson, James Andrew McCammon
Molecular dynamics of cryptophane and its complexes with tetramethylammonium and neopentane using a continuum solvent model. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1999, v:20, n:9, pp:956-970 [Journal]
- Peter A. Sims, Chung F. Wong, James Andrew McCammon
Charge optimization of the interface between protein kinases and their ligands. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:11, pp:1416-1429 [Journal]
- Peter A. Sims, Chung F. Wong, Danka Vuga, James Andrew McCammon, Bartholomew M. Sefton
Relative contributions of desolvation, inter- and intramolecular interactions to binding affinity in protein kinase systems. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2005, v:26, n:7, pp:668-681 [Journal]
- Todd J. Dolinsky, Jens E. Nielsen, James Andrew McCammon, Nathan A. Baker
PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations. [Citation Graph (0, 0)][DBLP] Nucleic Acids Research, 2004, v:32, n:Web-Server-Issue, pp:665-667 [Journal]
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