G. Rocklin

发表

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

D. Baker, Alex Ford, V. Mulligan, 2017, Science.

Accurate de novo design of hyperstable constrained peptides

David Baker, James M. Olson, Thomas Szyperski, 2016, Nature.

Blind prediction of charged ligand binding affinities in a model binding site.

K. Dill, D. Mobley, B. Shoichet, 2013, Journal of molecular biology.

Docking for fragment inhibitors of AmpC β-lactamase

Denise G. Teotico, B. Shoichet, R. S. Ferreira, 2009, Proceedings of the National Academy of Sciences.

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.

David L Mobley, Ken A Dill, Philippe H Hünenberger, 2013, The Journal of chemical physics.

Docking for fragment inhibitors of AmpC (cid:1) -lactamase

B. Shoichet, R. S. Ferreira, G. Rocklin, 2009 .

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

G. Rocklin, C. Dermardirossian, G. Bokoch, 2006, Molecular biology of the cell.

Massively parallel de novo protein design for targeted therapeutics

Lu Zhang, Xuhui Huang, David Baker, 2017, Nature.

Mega-scale experimental analysis of protein folding stability in biology and protein design

S. Ovchinnikov, G. Rocklin, É. Laine, 2022, bioRxiv.

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

Brian D. Weitzner, D. Ho, J. Yu, 2020, Scientific Reports.

Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.

David L Mobley, Ken A Dill, Alan P Graves, 2009, Journal of molecular biology.

Computational design of a synthetic PD-1 agonist

Ashley V. Kroll, Chad J. Miller, Alex Ford, 2021, Proceedings of the National Academy of Sciences.

Large-scale design and refinement of stable proteins using sequence-only models

Craig O. Mackenzie, D. Baker, Alex Ford, 2021, bioRxiv.

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

David L. Mobley, Ken A. Dill, K. Dill, 2013, The Journal of chemical physics.

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

Nabil F. Faruk, K. Freed, C. Arrowsmith, 2021, Journal of chemical theory and computation.

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

David L Mobley, Ken A Dill, K. Dill, 2013, Journal of chemical theory and computation.

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

C. Arrowsmith, G. Rocklin, S. Houliston, 2021, bioRxiv.

Mega-scale experimental analysis of protein folding stability in biology and design

S. Ovchinnikov, G. Rocklin, É. Laine, 2023, Nature.

In vivo selection of synthetic nucleocapsids for tissue targeting.

Gabriel L. Butterfield, S. Pun, G. Rocklin, 2023, Proceedings of the National Academy of Sciences of the United States of America.

Blind prediction of charged ligand binding affinities in a model binding site.

K. Dill, D. Mobley, B. Shoichet, 2013, Journal of molecular biology.