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List of works by Gabriel J. Rocklin

Accurate de novo design of hyperstable constrained peptides

scientific article

Blind Prediction of Charged Ligand Binding Affinities in a Model Binding Site

scientific article

Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: an accurate correction scheme for electrostatic finite-size effects

scientific article

Calculating the sensitivity and robustness of binding free energy calculations to force field parameters

scientific article published on July 2013

Dissecting the stability determinants of a challenging de novo protein fold using massively parallel design and experimentation

Docking for fragment inhibitors of AmpC  -lactamase

scientific article

Global analysis of protein folding using massively parallel design, synthesis, and testing

scientific article published on July 2017

Massively parallel de novo protein design for targeted therapeutics.

scientific article published on 27 September 2017

Phosphorylation of RhoGDI by Src regulates Rho GTPase binding and cytosol-membrane cycling

scientific article published on 30 August 2006

Predicting Ligand Binding Affinity with Alchemical Free Energy Methods in a Polar Model Binding Site

scientific article

Prediction and Validation of a Protein’s Free Energy Surface Using Hydrogen Exchange and (Importantly) Its Denaturant Dependence

scientific article published on 22 December 2021

Separated topologies--a method for relative binding free energy calculations using orientational restraints

scientific article published on February 2013

The influence of proline isomerization on potency and stability of anti-HIV antibody 10E8

scientific article published on 31 August 2020

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