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Wang L, Abel R, Friesner RA, et al. 
Thermodynamic properties of liquid water: an application of a nonparametric approach to computing the entropy of a neat fluid. [JOURNAL ARTICLE]
J Chem Theory Comput 2009 Jun 9; 5(6):1462-1473.
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Yan A, Wang Y, Kloczkowski A, et al. 
Effects of protein subunits removal on the computed motions of partial 30S structures of the ribosome. [JOURNAL ARTICLE]
J Chem Theory Comput 2008 Sep 20; 4(10):1757-1767.
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Wong KY, Gao J 
A Systematic Approach for Computing Zero-Point Energy, Quantum Partition Function, and Tunneling Effect Based on Kleinert's Variational Perturbation Theory. [JOURNAL ARTICLE]
J Chem Theory Comput 2008 Sep 9; 4(9):1409-1422.
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Lu B, Cheng X, Huang J, et al. 
An Adaptive Fast Multipole Boundary Element Method for Poisson-Boltzmann Electrostatics. [JOURNAL ARTICLE]
J Chem Theory Comput 2009 Jun 9; 5(6):1692-1699.
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Lawrenz M, Baron R, McCammon JA 
Independent-Trajectories Thermodynamic-Integration Free-Energy Changes for Biomolecular Systems: Determinants of H5N1 Avian Influenza Virus Neuraminidase Inhibition by Peramivir. [JOURNAL ARTICLE]
J Chem Theory Comput 2009 Apr 14; 5(4):1106-1116.
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Fajer M, Hamelberg D, McCammon JA 
Replica-Exchange Accelerated Molecular Dynamics (REXAMD) Applied to Thermodynamic Integration. [JOURNAL ARTICLE]
J Chem Theory Comput 2008 Oct 14; 4(10):1565-1569.
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Wong S, Amaro RE, McCammon JA 
MM-PBSA Captures Key Role of Intercalating Water Molecules at a Protein-Protein Interface. [JOURNAL ARTICLE]
J Chem Theory Comput 2009 Feb 10; 5(2):422-429.
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de Oliveira CA, Hamelberg D, McCammon JA 
Coupling Accelerated Molecular Dynamics Methods with Thermodynamic Integration Simulations. [JOURNAL ARTICLE]
J Chem Theory Comput 2008 Sep 9; 4(9):1516-1525.
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Długosz M, Antosiewicz JM, Trylska J 
Association of aminoglycosidic antibiotics with the ribosomal A-site studied with Brownian dynamics. [JOURNAL ARTICLE]
J Chem Theory Comput 2008 Apr; 4(4):549-559.
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Marucho M, Kelley CT, Pettitt BM 
Solutions of the Optimized Closure Integral Equation Theory: Heteronuclear Polyatomic Fluids. [JOURNAL ARTICLE]
J Chem Theory Comput 2008 Feb 21; 4(3):385-396.
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