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| 2012 | ||
|---|---|---|
| 41 | Jacob D. Durrant, James Andrew McCammon: AutoClickChem: Click Chemistry in Silico. PLoS Computational Biology 8(3): (2012) | |
| 2011 | ||
| 40 | César Augusto F. de Oliveira, Barry J. Grant, Michelle Zhou, James Andrew McCammon: Large-Scale Conformational Changes of Trypanosoma cruzi Proline Racemase Predicted by Accelerated Molecular Dynamics Simulation. PLoS Computational Biology 7(10): (2011) | |
| 39 | Lars Skjaerven, Barry J. Grant, Arturo Muga, Knut Teigen, James Andrew McCammon, Nathalie Reuter, Aurora Martinez: Conformational Sampling and Nucleotide-Dependent Transitions of the GroEL Subunit Probed by Unbiased Molecular Dynamics Simulations. PLoS Computational Biology 7(3): (2011) | |
| 38 | Denis Bucher, Barry J. Grant, Phineus R. Markwick, James Andrew McCammon: Accessing a Hidden Conformation of the Maltose Binding Protein Using Accelerated Molecular Dynamics. PLoS Computational Biology 7(4): (2011) | |
| 37 | Julia Romanowska, James Andrew McCammon, Joanna Trylska: Understanding the Origins of Bacterial Resistance to Aminoglycosides through Molecular Dynamics Mutational Study of the Ribosomal A-Site. PLoS Computational Biology 7(7): (2011) | |
| 2010 | ||
| 36 | Jacob D. Durrant, James Andrew McCammon: Potential drug-like inhibitors of Group 1 influenza neuraminidase identified through computer-aided drug design. Computational Biology and Chemistry 34(2): 97-105 (2010) | |
| 35 | Gary A. Huber, James Andrew McCammon: Browndye: A software package for Brownian dynamics. Computer Physics Communications 181(11): 1896-1905 (2010) | |
| 34 | Benzhuo Lu, Xiaolin Cheng, Jingfang Huang, James Andrew McCammon: AFMPB: An adaptive fast multipole Poisson-Boltzmann solver for calculating electrostatics in biomolecular systems. Computer Physics Communications 181(6): 1150-1160 (2010) | |
| 33 | Benzhuo Lu, Michael J. Holst, James Andrew McCammon, Y. C. Zhou: Poisson-Nernst-Planck equations for simulating biomolecular diffusion-reaction processes I: Finite element solutions. J. Comput. Physics 229(19): 6979-6994 (2010) | |
| 32 | Jacob D. Durrant, Rommie E. Amaro, Lei Xie, Michael D. Urbaniak, Michael A. J. Ferguson, Antti Haapalainen, Zhijun Chen, Anne Marie Di Guilmi, Frank Wunder, Philip E. Bourne, James Andrew McCammon: A Multidimensional Strategy to Detect Polypharmacological Targets in the Absence of Structural and Sequence Homology. PLoS Computational Biology 6(1): (2010) | |
| 31 | Yuhui Cheng, Zeyun Yu, Masahiko Hoshijima, Michael J. Holst, Andrew D. McCulloch, James Andrew McCammon, Anushka Michailova: Numerical Analysis of Ca2+ Signaling in Rat Ventricular Myocytes with Realistic Transverse-Axial Tubular Geometry and Inhibited Sarcoplasmic Reticulum. PLoS Computational Biology 6(10): (2010) | |
| 30 | Suryani Lukman, Barry J. Grant, Alemayehu A. Gorfe, Guy H. Grant, James Andrew McCammon: The Distinct Conformational Dynamics of K-Ras and H-Ras A59G. PLoS Computational Biology 6(9): (2010) | |
| 2009 | ||
| 29 | Yuhui Cheng, Michael J. Holst, James Andrew McCammon: Finite Element Analysis of Drug Electrostatic Diffusion: Inhibition Rate Studies in N1 Neuraminidase. Pacific Symposium on Biocomputing 2009: 281-292 | |
| 28 | Arneh Babakhani, Todd T. Talley, Palmer Taylor, James Andrew McCammon: A virtual screening study of the acetylcholine binding protein using a relaxed-complex approach. Computational Biology and Chemistry 33(2): 160-170 (2009) | |
| 27 | Mikolai Fajer, Robert V. Swift, James Andrew McCammon: Using multistate free energy techniques to improve the efficiency of replica exchange accelerated molecular dynamics. Journal of Computational Chemistry 30(11): 1719-1725 (2009) | |
| 26 | Barry J. Grant, Alemayehu A. Gorfe, James Andrew McCammon: Ras Conformational Switching: Simulating Nucleotide-Dependent Conformational Transitions with Accelerated Molecular Dynamics. PLoS Computational Biology 5(3): (2009) | |
| 2008 | ||
| 25 | Hai-Long Wang, Xiaolin Cheng, Palmer Taylor, James Andrew McCammon, Steven M. Sine: Control of Cation Permeation through the Nicotinic Receptor Channel. PLoS Computational Biology 4(2): (2008) | |
| 2006 | ||
| 24 | Barry J. Grant, Ana P. C. Rodrigues, Karim M. ElSawy, James Andrew McCammon, Leo S. D. Caves: Bio3d: an R package for the comparative analysis of protein structures. Bioinformatics 22(21): 2695-2696 (2006) | |
| 23 | Kay Hamacher, Joanna Trylska, James Andrew McCammon: Dependency Map of Proteins in the Small Ribosomal Subunit. PLoS Computational Biology 2(2): (2006) | |
| 22 | Xiaolin Cheng, Hai-Long Wang, Barry J. Grant, Steven M. Sine, James Andrew McCammon: Targeted Molecular Dynamics Study of C-Loop Closure and Channel Gating in Nicotinic Receptors. PLoS Computational Biology 2(9): (2006) | |
| 2005 | ||
| 21 | 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) | |
| 20 | Deqiang Zhang, James Andrew McCammon: The Association of Tetrameric Acetylcholinesterase with ColQ Tail: A Block Normal Mode Analysis. PLoS Computational Biology 1(6): (2005) | |
| 2004 | ||
| 19 | 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) | |
| 18 | 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 | ||
| 17 | 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 | ||
| 16 | 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) | |
| 15 | Tjerk P. Straatsma, James Andrew McCammon: Load balancing of molecular dynamics simulation with NWChem. IBM Systems Journal 40(2): 328-341 (2001) | |
| 1999 | ||
| 14 | 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 | ||
| 13 | 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 | ||
| 12 | 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 | ||
| 11 | 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 | ||
| 10 | Terry W. Clark, L. Ridgway Scott, Stanislaw Wloked, James Andrew McCammon: I/O Limitations in Parallel Molecular Dynamics. SC 1995 | |
| 9 | Piotr Bala, Palo Grochowski, Bogdan Lesyng, James Andrew McCammon: Quantum-classical Molecular Dynamics and Its Computer Implementation. Computers & Chemistry 19(3): 155-160 (1995) | |
| 8 | 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) | |
| 7 | 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 | ||
| 6 | Terry W. Clark, James Andrew McCammon, L. Ridgway Scott: Parallel Molecular Dynamics. PPSC 1991: 338-344 | |
| 5 | 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 | ||
| 4 | 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) | |
| 1989 | ||
| 3 | J. C. Sauniere, T. P. Lybrand, James Andrew McCammon, L. D. Pyle: Polarizable water models: Vectorization of energy calculations on the CYBER 205. Computers & Chemistry 13(4): 313-317 (1989) | |
| 1984 | ||
| 2 | Bhalachandra L. Tembre, James Andrew McCammon: Ligand-receptor interactions. Computers & Chemistry 8(4): 281-283 (1984) | |
| 1982 | ||
| 1 | Stephen C. Harvey, James Andrew McCammon: Macromolecular conformational energy minimization: An algorithm varying pseudodihedral angles. Computers & Chemistry 6(4): 173-179 (1982) | |
Colors in the list of coauthors
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