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Benzene Dimer: A Good Model for π−π Interactions in Proteins? A Comparison between the Benzene and the Toluene Dimers in the Gas Phase and in an Aqueous Solution

C. Chipot, R. Jaffe, B. Maigret, D. Pearlman, and P. Kollman. Journal of the American Chemical Society, 118 (45): 11217--11224 (January 1996)
DOI: 10.1021/ja961379l

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Other publications of authors with the same name

AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of moleculesD. Pearlman, D. Case, J. Caldwell, W. Ross, T. Cheatham III, S. DeBolt, D. Ferguson, G. Seibel, and P. Kollman. Computer Physics Communications, 91 (1-3): 1--41 (1995)Alternative approaches to potential of mean force calculations: Free energy perturbation versus thermodynamic integration. Case study of some representative nonpolar interactions.C. Chipot, P. Kollman, and D. Pearlman. J. Comput. Chem., 17 (9): 1112-1131 (1996)Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery.T. Lee, B. Allen, T. Giese, Z. Guo, P. Li, C. Lin, T. Jr., D. Pearlman, B. Radak, Y. Tao and 4 other author(s). J. Chem. Inf. Model., 60 (11): 5595-5623 (2020)Benzene Dimer: A Good Model for π−π Interactions in Proteins? A Comparison between the Benzene and the Toluene Dimers in the Gas Phase and in an Aqueous SolutionC. Chipot, R. Jaffe, B. Maigret, D. Pearlman, and P. Kollman. Journal of the American Chemical Society, 118 (45): 11217--11224 (January 1996)Free Energy Peturbation Calculations on Parallel Computers: Demonstrations of Scalable Linear Speedup.S. DeBolt, D. Pearlman, and P. Kollman. J. Comput. Chem., 15 (3): 351-374 (1994)Rigorous Free Energy Simulations in Virtual Screening.Z. Cournia, B. Allen, T. Beuming, D. Pearlman, B. Radak, and W. Sherman. J. Chem. Inf. Model., 60 (9): 4153-4169 (2020)CONCEPTS: New dynamic algorithm for de novo drug suggestion.D. Pearlman, and M. Murcko. J. Comput. Chem., 14 (10): 1184-1193 (1993)Free Energy Derivatives: A New Method for Probing the Convergence Problem in Free Energy Calculations.D. Pearlman. J. Comput. Chem., 15 (1): 105-123 (1994)Quantum simulations of SARS-CoV-2 main protease Mpro enable high-quality scoring of diverse ligands.Y. Wang, S. Murlidaran, and D. Pearlman. J. Comput. Aided Mol. Des., 35 (9): 963-971 (2021)

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Disambiguation of "Pearlman, David A."