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Absolute binding free energies for octa-acids and guests in SAMPL5 - Evaluating binding free energies for octa-acid and guest complexes in the SAMPL5 blind challenge.

F. Tofoleanu, J. Lee, F. IV, G. König, J. Huang, M. Baek, C. Seok, and B. Brooks. J. Comput. Aided Mol. Des., 31 (1): 107-118 (2017)

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Karsten Pickard

Marcus Pickard

Polip Iv

Helmut Pickard

Christoph Pickard

Other publications of authors with the same name

Comparing normal modes across different models and scales: Hessian reduction versus coarse-graining.A. Ghysels, B. Miller, F. IV, and B. Brooks. J. Comput. Chem., 33 (28): 2250-2275 (2012)Blind prediction of distribution in the SAMPL5 challenge with QM based protomer and pK a corrections.F. IV, G. König, F. Tofoleanu, J. Lee, A. Simmonett, Y. Shao, J. Ponder, and B. Brooks. J. Comput. Aided Mol. Des., 30 (11): 1087-1100 (2016)Absolute binding free energies for octa-acids and guests in SAMPL5 - Evaluating binding free energies for octa-acid and guest complexes in the SAMPL5 blind challenge.F. Tofoleanu, J. Lee, F. IV, G. König, J. Huang, M. Baek, C. Seok, and B. Brooks. J. Comput. Aided Mol. Des., 31 (1): 107-118 (2017)Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in the SAMPL5 challenge.G. König, F. IV, J. Huang, A. Simmonett, F. Tofoleanu, J. Lee, P. Dral, S. Prasad, M. Jones, Y. Shao and 2 other author(s). J. Comput. Aided Mol. Des., 30 (11): 989-1006 (2016)Web-Based Computational Chemistry Education with CHARMMing II: Coarse-Grained Protein Folding.F. IV, B. Miller, V. Schalk, M. Lerner, H. III, and B. Brooks. PLoS Comput. Biol., (2014)Absolute binding free energy calculations of CBClip host-guest systems in the SAMPL5 blind challenge.J. Lee, F. Tofoleanu, F. IV, G. König, J. Huang, A. Damjanovic, M. Baek, C. Seok, and B. Brooks. J. Comput. Aided Mol. Des., 31 (1): 71-85 (2017)Predicting hydration free energies with a hybrid QM/MM approach: an evaluation of implicit and explicit solvation models in SAMPL4.G. König, F. IV, Y. Mei, and B. Brooks. J. Comput. Aided Mol. Des., 28 (3): 245-257 (2014)

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Disambiguation of "IV, Frank C. Pickard"