Frank C. Pickard IV
Orcid: 0000-0002-9608-3466
According to our database1,
Frank C. Pickard IV
authored at least 7 papers
between 2012 and 2017.
Collaborative distances:
Collaborative distances:
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Bibliography
2017
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.
J. Comput. Aided Mol. Des., 2017
Absolute binding free energy calculations of CBClip host-guest systems in the SAMPL5 blind challenge.
J. Comput. Aided Mol. Des., 2017
2016
Blind prediction of distribution in the SAMPL5 challenge with QM based protomer and p<i>K</i> <sub>a</sub> corrections.
J. Comput. Aided Mol. Des., 2016
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.
J. Comput. Aided Mol. Des., 2016
2014
Web-Based Computational Chemistry Education with CHARMMing II: Coarse-Grained Protein Folding.
PLoS Comput. Biol., 2014
Predicting hydration free energies with a hybrid QM/MM approach: an evaluation of implicit and explicit solvation models in SAMPL4.
J. Comput. Aided Mol. Des., 2014
2012
Comparing normal modes across different models and scales: Hessian reduction <i>versus</i> coarse-graining.
J. Comput. Chem., 2012