2009 | ||
---|---|---|
33 | EE | Gernot Frenking, Charles L. Brooks III, Shigeyoshi Sakaki: Editors' note. Journal of Computational Chemistry 30(1): 1 (2009) |
2008 | ||
32 | EE | Mark A. Olson, Michael Feig, Charles L. Brooks III: Prediction of protein loop conformations using multiscale modeling methods with physical energy scoring functions. Journal of Computational Chemistry 29(5): 820-831 (2008) |
2007 | ||
31 | EE | Michela Taufer, Andre Kerstens, Trilce Estrada, David A. Flores, Richard Zamudio, Patricia J. Teller, R. Armen, Charles L. Brooks III: Moving Volunteer Computing towards Knowledge-Constructed, Dynamically-Adaptive Modeling and Scheduling. IPDPS 2007: 1-8 |
30 | EE | Charles L. Brooks III, Gernot Frenking, Shigeyoshi Sakaki: Letter from the Editors. Journal of Computational Chemistry 28(11): 1775 (2007) |
2006 | ||
29 | EE | Michela Taufer, Chahm An, Andreas Kerstens, Charles L. Brooks III: Predictor@Home: A "Protein Structure Prediction Supercomputer' Based on Global Computing. IEEE Trans. Parallel Distrib. Syst. 17(8): 786-796 (2006) |
28 | EE | Craig M. Shepherd, Ian A. Borelli, Gabriel Lander, Padmaja Natarajan, Vinay Siddavanahalli, Chandrajit L. Bajaj, John E. Johnson, Charles L. Brooks III, Vijay S. Reddy: VIPERdb: a relational database for structural virology. Nucleic Acids Research 34(Database-Issue): 386-389 (2006) |
2005 | ||
27 | EE | Michela Taufer, David P. Anderson, Pietro Cicotti, Charles L. Brooks III: Homogeneous Redundancy: a Technique to Ensure Integrity of Molecular Simulation Results Using Public Computing. IPDPS 2005 |
26 | EE | Michela Taufer, Chahm An, Andreas Kerstens, Charles L. Brooks III: Predictor@Home: A "Protein Structure Prediction Supercomputer" Based on Public-Resource Computing. IPDPS 2005 |
25 | EE | Michela Taufer, Patricia J. Teller, David P. Anderson, Charles L. Brooks III: Metrics for Effective Resource Management in Global Computing Environments. e-Science 2005: 204-211 |
24 | EE | Michela Taufer, Michael Crowley, Daniel J. Price, Andrew A. Chien, Charles L. Brooks III: Study of a highly accurate and fast protein-ligand docking method based on molecular dynamics. Concurrency and Computation: Practice and Experience 17(14): 1627-1641 (2005) |
23 | EE | Daniel J. Price, Charles L. Brooks III: Detailed considerations for a balanced and broadly applicable force field: A study of substituted benzenes modeled with OPLS-AA. Journal of Computational Chemistry 26(14): 1529-1541 (2005) |
22 | EE | Jianhan Chen, Wonpil Im, Charles L. Brooks III: Application of torsion angle molecular dynamics for efficient sampling of protein conformations. Journal of Computational Chemistry 26(15): 1565-1578 (2005) |
21 | EE | Charles L. Brooks III: Editorial. Journal of Computational Chemistry 26(16): 1667 (2005) |
2004 | ||
20 | EE | Derrick Kondo, Michela Taufer, Charles L. Brooks III, Henri Casanova, Andrew A. Chien: Characterizing and Evaluating Desktop Grids: An Empirical Study. IPDPS 2004 |
19 | EE | Michela Taufer, Michael Crowley, Daniel J. Price, Andrew A. Chien, Charles L. Brooks III: Study of a Highly Accurate and Fast Protein-Ligand Docking Algorithm Based on Molecular Dynamics. IPDPS 2004 |
18 | EE | Anand Natrajan, Michael Crowley, Nancy Wilkins-Diehr, Marty A. Humphrey, Anthony D. Fox, Andrew S. Grimshaw, Charles L. Brooks III: Studying protein folding on the Grid: experiences using CHARMM on NPACI resources under Legion. Concurrency and Computation: Practice and Experience 16(4): 385-397 (2004) |
17 | EE | Sandeep Patel, Charles L. Brooks III: CHARMM fluctuating charge force field for proteins: I parameterization and application to bulk organic liquid simulations. Journal of Computational Chemistry 25(1): 1-16 (2004) |
16 | EE | Alexander D. MacKerell Jr., Michael Feig, Charles L. Brooks III: Extending the treatment of backbone energetics in protein force fields: Limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations. Journal of Computational Chemistry 25(11): 1400-1415 (2004) |
15 | EE | Sandeep Patel, Alexander D. MacKerell Jr., Charles L. Brooks III: CHARMM fluctuating charge force field for proteins: II Protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model. Journal of Computational Chemistry 25(12): 1504-1514 (2004) |
14 | EE | Michael Feig, Alexey Onufriev, Michael S. Lee, Wonpil Im, David A. Case, Charles L. Brooks III: Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures. Journal of Computational Chemistry 25(2): 265-284 (2004) |
13 | EE | Olgun Guvench, Charles L. Brooks III: Efficient approximate all-atom solvent accessible surface area method parameterized for folded and denatured protein conformations. Journal of Computational Chemistry 25(8): 1005-1014 (2004) |
2003 | ||
12 | EE | Michael S. Lee, Michael Feig, Freddie R. Salsbury Jr., Charles L. Brooks III: New analytic approximation to the standard molecular volume definition and its application to generalized Born calculations. Journal of Computational Chemistry 24(11): 1348-1356 (2003) |
11 | EE | Guosheng Wu, Daniel H. Robertson, Charles L. Brooks III, Michal Vieth: Detailed analysis of grid-based molecular docking: A case study of CDOCKER - A CHARMm-based MD docking algorithm. Journal of Computational Chemistry 24(13): 1549-1562 (2003) |
10 | EE | Wonpil Im, Michael S. Lee, Charles L. Brooks III: Generalized born model with a simple smoothing function. Journal of Computational Chemistry 24(14): 1691-1702 (2003) |
9 | EE | Michael S. Lee, Michael Feig, Freddie R. Salsbury Jr., Charles L. Brooks III: New analytic approximation to the standard molecular volume definition and its application to generalized born calculations - Erratum. Journal of Computational Chemistry 24(14): 1821 (2003) |
8 | Badry D. Bursulaya, Maxim Totrov, Ruben Abagyan, Charles L. Brooks III: Comparative study of several algorithms for flexible ligand docking. Journal of Computer-Aided Molecular Design 17(11): 755-763 (2003) | |
2002 | ||
7 | EE | Brian N. Dominy, Charles L. Brooks III: Identifying native-like protein structures using physics-based potentials. Journal of Computational Chemistry 23(1): 147-160 (2002) |
6 | EE | Daniel J. Price, Charles L. Brooks III: Modern protein force fields behave comparably in molecular dynamics simulations. Journal of Computational Chemistry 23(11): 1045-1057 (2002) |
2001 | ||
5 | EE | Anand Natrajan, Anthony D. Fox, Marty A. Humphrey, Andrew S. Grimshaw, Nancy Wilkins-Diehr, Michael Crowley, Charles L. Brooks III: Studying Protein Folding on the Grid: Experiences Using CHARMM on NPACI Resources under Legion. HPDC 2001: 14-21 |
1998 | ||
4 | EE | Michal Vieth, Jonathan D. Hirst, Andrzej Kolinski, Charles L. Brooks III: Assessing energy functions for flexible docking. Journal of Computational Chemistry 19(14): 1612-1622 (1998) |
3 | EE | Michal Vieth, Jonathan D. Hirst, Brian N. Dominy, Heidi Daigler, Charles L. Brooks III: Assessing search strategies for flexible docking. Journal of Computational Chemistry 19(14): 1623-1631 (1998) |
1995 | ||
2 | William S. Young, Charles L. Brooks III: Dynamic Load Balancing Algorithms for Replicated Data Molecular Dynamics. Journal of Computational Chemistry 16(6): 715-722 (1995) | |
1994 | ||
1 | William S. Young, Charles L. Brooks III: Implementation of a Data Parallel, Logical Domain Decomposition Method for Interparticle Interactions in Molecular Dynamics of Structured Molecular Fluids. Journal of Computational Chemistry 15(1): 44-53 (1994) |