Global analysis of protein folding using massively parallel design, synthesis, and testing GJ Rocklin, TM Chidyausiku, I Goreshnik, A Ford, S Houliston, A Lemak, ... Science 357 (6347), 168-175, 2017 | 506 | 2017 |
Massively parallel de novo protein design for targeted therapeutics A Chevalier, DA Silva, GJ Rocklin, DR Hicks, R Vergara, P Murapa, ... Nature 550 (7674), 74-79, 2017 | 429 | 2017 |
Accurate de novo design of hyperstable constrained peptides G Bhardwaj, VK Mulligan, CD Bahl, JM Gilmore, PJ Harvey, O Cheneval, ... Nature 538 (7625), 329, 2016 | 395 | 2016 |
Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: An accurate correction scheme for electrostatic … GJ Rocklin, DL Mobley, KA Dill, PH Hünenberger The Journal of chemical physics 139 (18), 2013 | 236 | 2013 |
Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site SE Boyce, DL Mobley, GJ Rocklin, AP Graves, KA Dill, BK Shoichet Journal of molecular biology 394 (4), 747-763, 2009 | 213 | 2009 |
Phosphorylation of RhoGDI by Src regulates Rho GTPase binding and cytosol-membrane cycling C DerMardirossian, G Rocklin, JY Seo, GM Bokoch Molecular biology of the cell 17 (11), 4760-4768, 2006 | 203 | 2006 |
Docking for fragment inhibitors of AmpC β-lactamase DG Teotico, K Babaoglu, GJ Rocklin, RS Ferreira, AM Giannetti, ... Proceedings of the National Academy of Sciences 106 (18), 7455-7460, 2009 | 136 | 2009 |
Mega-scale experimental analysis of protein folding stability in biology and design K Tsuboyama, J Dauparas, J Chen, E Laine, Y Mohseni Behbahani, ... Nature 620, 434-444, 2023 | 107 | 2023 |
Blind prediction of charged ligand binding affinities in a model binding site GJ Rocklin, SE Boyce, M Fischer, I Fish, DL Mobley, BK Shoichet, KA Dill Journal of molecular biology 425 (22), 4569-4583, 2013 | 62 | 2013 |
Computational design of a synthetic PD-1 agonist CM Bryan, GJ Rocklin, MJ Bick, A Ford, S Majri-Morrison, AV Kroll, ... Proceedings of the National Academy of Sciences 118 (29), e2102164118, 2021 | 41 | 2021 |
Separated topologies—A method for relative binding free energy calculations using orientational restraints GJ Rocklin, DL Mobley, KA Dill The Journal of chemical physics 138 (8), 2013 | 37 | 2013 |
Calculating the sensitivity and robustness of binding free energy calculations to force field parameters GJ Rocklin, DL Mobley, KA Dill Journal of chemical theory and computation 9 (7), 3072-3083, 2013 | 35 | 2013 |
Large-scale design and refinement of stable proteins using sequence-only models JM Singer, S Novotney, D Strickland, HK Haddox, N Leiby, GJ Rocklin, ... PloS one 17 (3), e0265020, 2022 | 25 | 2022 |
The influence of proline isomerization on potency and stability of anti-HIV antibody 10E8 M Guttman, NN Padte, Y Huang, J Yu, GJ Rocklin, BD Weitzner, M Scian, ... Scientific reports 10 (1), 14313, 2020 | 15 | 2020 |
Prediction and validation of a protein’s free energy surface using hydrogen exchange and (importantly) its denaturant dependence X Peng, M Baxa, N Faruk, JR Sachleben, S Pintscher, IA Gagnon, ... Journal of chemical theory and computation 18 (1), 550-561, 2021 | 10 | 2021 |
Dissecting the stability determinants of a challenging de novo protein fold using massively parallel design and experimentation TE Kim, K Tsuboyama, S Houliston, CM Martell, CM Phoumyvong, ... Proceedings of the National Academy of Sciences 119 (41), e2122676119, 2022 | 5 | 2022 |
Heat‐induced structural and chemical changes to a computationally designed miniprotein JA Dudley, S Park, O Cho, NGM Wells, ME MacDonald, KM Blejec, ... Protein Science 33 (6), e4991, 2024 | 1 | 2024 |
In vivo selection of synthetic nucleocapsids for tissue targeting A Olshefsky, H Benasutti, M Sylvestre, GL Butterfield, GJ Rocklin, ... Proceedings of the National Academy of Sciences 120 (46), e2306129120, 2023 | 1 | 2023 |
Deconstructing synthetic biology across scales: a conceptual approach for training synthetic biologists AS Karim, DM Brown, CM Archuleta, S Grannan, L Aristilde, Y Goyal, ... Nature Communications 15 (1), 5425, 2024 | | 2024 |
Disentanglement of Evolutionary Constraints in Statistical Models of Proteins H Wang, S Feng, K Tsuboyama, S Liu, GJ Rocklin, S Ovchinnikov PRX Life 2 (2), 023005, 2024 | | 2024 |