| AWSEM-MD: protein structure prediction using coarse-grained physical potentials and bioinformatically based local structure biasing A Davtyan, NP Schafer, W Zheng, C Clementi, PG Wolynes, GA Papoian The Journal of Physical Chemistry B 116 (29), 8494-8503, 2012 | 333 | 2012 |
| Protein Frustratometer 2: a tool to localize energetic frustration in protein molecules, now with electrostatics RG Parra, NP Schafer, LG Radusky, MY Tsai, AB Guzovsky, PG Wolynes, ... Nucleic acids research 44 (W1), W356-W360, 2016 | 220 | 2016 |
| Coevolutionary information, protein folding landscapes, and the thermodynamics of natural selection F Morcos, NP Schafer, RR Cheng, JN Onuchic, PG Wolynes Proceedings of the National Academy of Sciences 111 (34), 12408-12413, 2014 | 153 | 2014 |
| Predictive energy landscapes for protein–protein association W Zheng, NP Schafer, A Davtyan, GA Papoian, PG Wolynes Proceedings of the National Academy of Sciences 109 (47), 19244-19249, 2012 | 130 | 2012 |
| Electrostatics, structure prediction, and the energy landscapes for protein folding and binding MY Tsai, W Zheng, D Balamurugan, NP Schafer, BL Kim, MS Cheung, ... Protein Science 25 (1), 255-269, 2016 | 95 | 2016 |
| Frustration in the energy landscapes of multidomain protein misfolding W Zheng, NP Schafer, PG Wolynes Proceedings of the National Academy of Sciences 110 (5), 1680-1685, 2013 | 91 | 2013 |
| Learning to fold proteins using energy landscape theory NP Schafer, BL Kim, W Zheng, PG Wolynes Israel journal of chemistry 54 (8‐9), 1311-1337, 2014 | 81 | 2014 |
| Oleuropein derivatives from olive fruit extracts reduce α-synuclein fibrillation and oligomer toxicity H Mohammad-Beigi, F Aliakbari, C Sahin, C Lomax, A Tawfike, ... Journal of Biological Chemistry 294 (11), 4215-4232, 2019 | 74 | 2019 |
| Cooperative folding of a polytopic α-helical membrane protein involves a compact N-terminal nucleus and nonnative loops W Paslawski, OK Lillelund, JV Kristensen, NP Schafer, RP Baker, S Urban, ... Proceedings of the National Academy of Sciences 112 (26), 7978-7983, 2015 | 73 | 2015 |
| Assemblies of calcium/calmodulin-dependent kinase II with actin and their dynamic regulation by calmodulin in dendritic spines Q Wang, M Chen, NP Schafer, C Bueno, SS Song, A Hudmon, ... Proceedings of the National Academy of Sciences 116 (38), 18937-18942, 2019 | 56 | 2019 |
| Surveying biomolecular frustration at atomic resolution M Chen, X Chen, NP Schafer, C Clementi, EA Komives, DU Ferreiro, ... Nature communications 11 (1), 5944, 2020 | 49 | 2020 |
| Free energy landscapes for initiation and branching of protein aggregation W Zheng, NP Schafer, PG Wolynes Proceedings of the National Academy of Sciences 110 (51), 20515-20520, 2013 | 47 | 2013 |
| Predictive energy landscapes for folding α-helical transmembrane proteins BL Kim, NP Schafer, PG Wolynes Proceedings of the National Academy of Sciences 111 (30), 11031-11036, 2014 | 43 | 2014 |
| Exploring the interplay between fibrillization and amorphous aggregation channels on the energy landscapes of tau repeat isoforms X Chen, M Chen, NP Schafer, PG Wolynes Proceedings of the National Academy of Sciences 117 (8), 4125-4130, 2020 | 42 | 2020 |
| OpenAWSEM with Open3SPN2: A fast, flexible, and accessible framework for large-scale coarse-grained biomolecular simulations W Lu, C Bueno, NP Schafer, J Moller, S Jin, X Chen, M Chen, X Gu, ... PLoS computational biology 17 (2), e1008308, 2021 | 41 | 2021 |
| Rapid assessment of T-cell receptor specificity of the immune repertoire X Lin, JT George, NP Schafer, K Ng Chau, ME Birnbaum, C Clementi, ... Nature computational science 1 (5), 362-373, 2021 | 40 | 2021 |
| PAGE4 and conformational switching: Insights from molecular dynamics simulations and implications for prostate cancer X Lin, S Roy, MK Jolly, F Bocci, NP Schafer, MY Tsai, Y Chen, Y He, ... Journal of molecular biology 430 (16), 2422-2438, 2018 | 40 | 2018 |
| Protein structure prediction: Making AWSEM AWSEM‐ER by adding evolutionary restraints BJ Sirovetz, NP Schafer, PG Wolynes Proteins: Structure, Function, and Bioinformatics 85 (11), 2127-2142, 2017 | 37 | 2017 |
| Funneling and frustration in the energy landscapes of some designed and simplified proteins HH Truong, BL Kim, NP Schafer, PG Wolynes The Journal of chemical physics 139 (12), 2013 | 35 | 2013 |
| Water mediated interactions and the protein folding phase diagram in the temperature–pressure plane BJ Sirovetz, NP Schafer, PG Wolynes The Journal of Physical Chemistry B 119 (34), 11416-11427, 2015 | 33 | 2015 |
Peter G. WolynesBullard-Welch Foundation Professor of Science, Professor of Chemistry, Professor of PhysicsVerified email at rice.edu
