PDB2PQR: an automated pipeline for the setup of Poisson–Boltzmann electrostatics calculations von Dolinsky, Todd J., Nielsen, Jens E., McCammon, J. Andrew, Baker, Nathan A.

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Implementation of accelerated molecular dynamics in NAMD von Wang, Y, Harrison, C B, Schulten, K, McCammon, J A

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Coupling nonpolar and polar solvation free energies in implicit solvent models von Dzubiella, J., Swanson, J. M. J., McCammon, J. A.

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Computing the Amino Acid Specificity of Fluctuations in Biomolecular Systems von Hamacher, K, McCammon, J. A

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Electrostatic properties of cowpea chlorotic mottle virus and cucumber mosaic virus capsids von Konecny, Robert, Trylska, Joanna, Tama, Florence, Zhang, Deqiang, Baker, Nathan A., Brooks III, Charles L., McCammon, J. A.

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Prediction of Ph-dependent Properties of Proteins von Antosiewicz, Jan, McCammon, J.Andrew, Gilson, Michael K.

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Developing a Dynamic Pharmacophore Model for HIV-1 Integrase von Carlson, Heather A, Masukawa, Kevin M, Rubins, Kathleen, Bushman, Fredric D, Jorgensen, William L, Lins, Roberto D, Briggs, James M, McCammon, J. Andrew

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Substrate concentration dependence of the diffusion-controlled steady-state rate constant von Dzubiella, J, McCammon, J A

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Optimizing the Poisson Dielectric Boundary with Explicit Solvent Forces and Energies:  Lessons Learned with Atom-Centered Dielectric Functions von Swanson, Jessica M. J, Wagoner, Jason A, Baker, Nathan A, McCammon, J. A

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Effect of artificial periodicity in simulations of biomolecules under Ewald boundary conditions: a continuum electrostatics study von Hünenberger, P.H., McCammon, J.A.

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Enzyme localization, crowding, and buffers collectively modulate diffusion-influenced signal transduction: Insights from continuum diffusion modeling von Kekenes-Huskey, Peter M, Eun, Changsun, McCammon, J A

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RPYFMM: Parallel adaptive fast multipole method for Rotne–Prager–Yamakawa tensor in biomolecular hydrodynamics simulations von Guan, W., Cheng, X., Huang, J., Huber, G., Li, W., McCammon, J.A., Zhang, B.

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Electrostatics of Nanosystems: Application to Microtubules and the Ribosome von Baker, Nathan A., Sept, David, Joseph, Simpson, Holst, Michael J., McCammon, J. Andrew

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Separation-shifted scaling, a new scaling method for Lennard-Jones interactions in thermodynamic integration von Zacharias, M., Straatsma, T. P., McCammon, J. A.

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Open "Back Door" in a Molecular Dynamics Simulation of Acetylcholinesterase von Gilson, M. K., Straatsma, T. P., McCammon, J. A., Ripoll, D. R., Faerman, C. H., Axelsen, P. H., Silman, I., Sussman, J. L.

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A minimal model for stabilization of biomolecules by hydrocarbon cross-linking von Hamacher, K, Hübsch, A, McCammon, J A

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Finite-element estimation of protein-ligand association rates with post-encounter effects: applications to calcium binding in troponin C and SERCA von Kekenes-Huskey, P M, Gillette, A, Hake, J, McCammon, J A

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Active Site Binding Modes of HIV-1 Integrase Inhibitors von Sotriffer, Christoph A, Ni, McCammon, J. Andrew

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Multiconfiguration thermodynamic integration von STRAATSMA, T. P, MCCAMMON, J. A

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COMPUTATIONAL ALCHEMY von STRAATSMA, TP, MCCAMMON, JA

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