2005 |
19 | EE | 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.
Journal of Computational Chemistry 26(7): 668-681 (2005) |
2004 |
18 | EE | Peter A. Sims,
Chung F. Wong,
James Andrew McCammon:
Charge optimization of the interface between protein kinases and their ligands.
Journal of Computational Chemistry 25(11): 1416-1429 (2004) |
17 | | Todd J. Dolinsky,
Jens E. Nielsen,
James Andrew McCammon,
Nathan A. Baker:
PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations.
Nucleic Acids Research 32(Web-Server-Issue): 665-667 (2004) |
2002 |
16 | EE | Richard H. Henchman,
James Andrew McCammon:
Extracting hydration sites around proteins from explicit water simulations.
Journal of Computational Chemistry 23(9): 861-869 (2002) |
2001 |
15 | EE | 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.
IBM Journal of Research and Development 45(3): 427-438 (2001) |
14 | EE | Tjerk P. Straatsma,
James Andrew McCammon:
Load balancing of molecular dynamics simulation with NWChem.
IBM Systems Journal 40(2): 328-341 (2001) |
1999 |
13 | EE | 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.
Journal of Computational Chemistry 20(9): 956-970 (1999) |
1998 |
12 | | 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.
PARA 1998: 20-27 |
1997 |
11 | | 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.
PVM/MPI 1997: 409-416 |
1996 |
10 | EE | Jan Antosiewicz,
James M. Briggs,
Adrian H. Elcock,
Michael K. Gilson,
James Andrew McCammon:
Computing ionization states of proteins with a detailed charge model.
Journal of Computational Chemistry 17(14): 1633-1644 (1996) |
1995 |
9 | EE | Terry W. Clark,
L. Ridgway Scott,
Stanislaw Wloked,
James Andrew McCammon:
I/O Limitations in Parallel Molecular Dynamics.
SC 1995 |
8 | EE | Piotr Bala,
Palo Grochowski,
Bogdan Lesyng,
James Andrew McCammon:
Quantum-classical Molecular Dynamics and Its Computer Implementation.
Computers & Chemistry 19(3): 155-160 (1995) |
7 | | 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.
Journal of Computational Chemistry 16(4): 454-464 (1995) |
6 | | Micahel K. Golson,
James Andrew McCammon,
Jeffrey D. Madura:
Molecular Dynamics Simulation with a Comtinuum Electrostatic Model of the Solvent.
Journal of Computational Chemistry 16(9): 1081-1095 (1995) |
1991 |
5 | | Terry W. Clark,
James Andrew McCammon,
L. Ridgway Scott:
Parallel Molecular Dynamics.
PPSC 1991: 338-344 |
4 | EE | Michael J. Mitchell,
James Andrew McCammon:
Vector Optimization of Amber 3.0On the NEC SX-2/400Supercomputer.
Computers & Chemistry 15(1): 79-85 (1991) |
1990 |
3 | EE | Terry W. Clark,
James Andrew McCammon:
Parallelization of a molecular dynamics non-bonded force algorithm for MIMD architecture.
Computers & Chemistry 14(3): 219-224 (1990) |
1984 |
2 | EE | Bhalachandra L. Tembre,
James Andrew McCammon:
Ligand-receptor interactions.
Computers & Chemistry 8(4): 281-283 (1984) |
1982 |
1 | EE | Stephen C. Harvey,
James Andrew McCammon:
Macromolecular conformational energy minimization: An algorithm varying pseudodihedral angles.
Computers & Chemistry 6(4): 173-179 (1982) |