| TANKBind: Trigonometry-Aware Neural NetworKs for Drug-Protein Binding Structure Prediction W Lu, Q Wu, J Zhang, J Rao, C Li, S Zheng Conference on Neural Information Processing Systems (NeurIPS 2022 spotlight), 2022 | 96 | 2022 |
| 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 | 31 | 2021 |
| Energy landscape underlying spontaneous insertion and folding of an alpha-helical transmembrane protein into a bilayer W Lu, NP Schafer, PG Wolynes Nature communications 9 (1), 4949, 2018 | 27 | 2018 |
| AWSEM-Suite: a protein structure prediction server based on template-guided, coevolutionary-enhanced optimized folding landscapes S Jin, VG Contessoto, M Chen, NP Schafer, W Lu, X Chen, C Bueno, ... Nucleic acids research 48 (W1), W25-W30, 2020 | 23 | 2020 |
| Protein folding and structure prediction from the ground up II: AAWSEM for α/β proteins M Chen, X Lin, W Lu, JN Onuchic, PG Wolynes The journal of physical chemistry B 121 (15), 3473-3482, 2017 | 23 | 2017 |
| Template-guided protein structure prediction and refinement using optimized folding landscape force fields M Chen, X Lin, W Lu, NP Schafer, JN Onuchic, PG Wolynes Journal of chemical theory and computation 14 (11), 6102-6116, 2018 | 19 | 2018 |
| Protein structure prediction in CASP13 using AWSEM-suite S Jin, M Chen, X Chen, C Bueno, W Lu, NP Schafer, X Lin, JN Onuchic, ... Journal of chemical theory and computation 16 (6), 3977-3988, 2020 | 17 | 2020 |
| Forging tools for refining predicted protein structures X Lin, NP Schafer, W Lu, S Jin, X Chen, M Chen, JN Onuchic, ... Proceedings of the National Academy of Sciences 116 (19), 9400-9409, 2019 | 16 | 2019 |
| Computationally exploring the mechanism of bacteriophage T7 gp4 helicase translocating along ssDNA S Jin, C Bueno, W Lu, Q Wang, M Chen, X Chen, PG Wolynes, Y Gao Proceedings of the National Academy of Sciences 119 (32), e2202239119, 2022 | 8 | 2022 |
| Single-molecule conformational dynamics of a transcription factor reveals a continuum of binding modes controlling association and dissociation W Chen, W Lu, PG Wolynes, EA Komives Nucleic Acids Research 49 (19), 11211-11223, 2021 | 8 | 2021 |
| Tankbind: Trigonometry-aware neural networks for drug-protein binding structure prediction. bioRxiv W Lu, Q Wu, J Zhang, J Rao, C Li, S Zheng Published online June 6, 2022 | 7 | 2022 |
| Protein structure refinement guided by atomic packing frustration analysis M Chen, X Chen, S Jin, W Lu, X Lin, PG Wolynes The Journal of Physical Chemistry B 124 (48), 10889-10898, 2020 | 6 | 2020 |
| DynamicBind: predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model W Lu, J Zhang, W Huang, Z Zhang, X Jia, Z Wang, L Shi, C Li, ... Nature Communications 15 (1), 1071, 2024 | 5 | 2024 |
| A structural dynamics model for how CPEB3 binding to SUMO2 can regulate translational control in dendritic spines X Gu, NP Schafer, C Bueno, W Lu, PG Wolynes PLOS Computational Biology 18 (11), e1010657, 2022 | 5 | 2022 |
| Exploring the folding energy landscapes of heme proteins using a hybrid AWSEM-heme model X Chen, W Lu, MY Tsai, S Jin, PG Wolynes Journal of Biological Physics, 1-17, 2022 | 5 | 2022 |
| Coarse-Grained Modeling and Molecular Dynamics Simulations of Ca2+-Calmodulin J Nde, P Zhang, JC Ezerski, W Lu, K Knapp, PG Wolynes, MS Cheung Frontiers in Molecular Biosciences 8, 661322, 2021 | 5 | 2021 |
| Cross-modal Graph Contrastive Learning with Cellular Images J Rao, C Li, J Zhang, Y Yang, L Zhou, E Cohen, W Lu, S Zheng | | 2023 |
| Mechanism of translocation by bacteriophage T7 helicase gp4 using AWSEM-Suite S Jin, CAB Basurco, W Lu, Y Gao, PG Wolynes Biophysical Journal 121 (3), 320a, 2022 | | 2022 |
| Coarse-Grained Modeling and Molecular Ca2+-Calmodulin Dynamics Simulations of J Nde, P Zhang, JC Ezerski, W Lu, K Knapp, PG Wolynes, MS Cheung Combining Simulations, Theory, and Experiments into Multiscale Models of …, 2022 | | 2022 |
| The Molecular Mechanisms underlying the Translational Control by a Prion-like RNA-binding Protein, CPEB3, in dendritic spines X Gu, N Schafer, C Bueno, W Lu, P Wolynes APS March Meeting Abstracts 2022, N00. 283, 2022 | | 2022 |
Peter G. WolynesBullard-Welch Foundation Professor of Science, Professor of Chemistry, Professor of PhysicsVerified email at rice.edu
