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) |