Shi-Jie Chen Research Group








Publications since 2000

Zhou YZ, Fichman Y, Zhang, SC, Mittler R, Chen, SJ. (2024) Modeling the Reactive Oxygen Species (ROS) wave in Chlamydomonas reinhardtii colonies. Free Radical Biology and Medicine. In press.

Avila YI, Rebolledo LP, Skelly E, Saito Rde F, Wei H, Lilley D, Stanley RE, Hou YM, Yang H, Sztuba-Solinska J, Chen SJ, Dokholyan NV, Tan C, Li K, He X, Zhang X, Miles W, Franco E, Binzel DW, Guo P, Afonin KA. (2024) Cracking the Code: Enhancing Molecular Tools for Progress in Nanobiotechnology. ACS Applied Bio Materials. In press.

Li, J, Zhou, YZ, Chen, SJ. (2024). Embracing exascale computing in nucleic acid simulations. Current Opinion in Structural Biology. In press.

Jin, L., Zhang, SC., Song, ZW., Heng, X., Chen, SJ. (2024). Kinetic pathway of HIV-1 TAR cotranscriptional folding. Nucleic Acids Research. DOI: 10.1093/nar/gkae362

Li, J, Walter, N.G., and Chen, S. (2024) smFRET-assisted RNA structure prediction. Communications in Information and Systems (CIS). Vol. 24 No. 3 (September 2024). In Press.

Zhou, YZ and Chen S. (2024) Advances in machine-learning approaches to RNA-targeted drug design. Artificial Intelligence Chemistry. 2(1):100053. doi: 10.1016/j.aichem.2024.100053.

Fichman Y, Rowland L, Nguyen T, Chen S, Mittler R. (2024) Propagation of a rapid cell-to-cell H2O2 signal over long distances in a monolayer of cardiomyocyte cells. Redox Biology. 70:103069. doi: 10.1016/j.redox.2024.103069.

Zhang, SC.+, Li, J.+, Chen, SJ. (2024). Machine Learning in RNA Structure Prediction: Advances and Challenges. Biophysical Journal. doi: 10.1016/j.bpj.2024.01.026.

Li, J.+, Zhang, SC.+, Chen, SJ. (2023). Advancing RNA 3D Structure Prediction: Exploring Hierarchical and Hybrid Approaches in CASP15. PROTEINS: Structure, Function, and Bioinformatics. 91(12):1779-1789. Open Access:

Li, J., & Chen, S. (2023). RNAJP: enhanced RNA 3D structure predictions with noncanonical interactions and global topology sampling. Nucleic Acids Research, 51(7):3341-3356. doi: 10.1093/nar/gkad122.

Chen, S. J., Hassan, M., Jernigan, R. L., Jia, K., Kihara, D., Kloczkowski, A., Kotelnikov, S., Kozakov, D., Liang, J., Liwo, A., Matysiak, S., Meller, J., Micheletti, C., Mitchell, J. C., Mondal, S., Nussinov, R., Okazaki, K. I., Padhorny, D., Skolnick, J., Sosnick, T. S., Rose, G. D. (2023). Opinion: Protein folds vs. protein folding: Differing questions, different challenges. Proc Natl Acad Sci U S A., 120(1), e2214423119.

Lewis Rolband, Damian Beasock, Yang Wang, Yao-Gen Shu, Jonathan D. Dinman, Tamar Schlick, Yaoqi Zhou, Jeffrey S. Kieft, Shi-Jie Chen, Giovanni Bussi, Abdelghani Oukhaled, Xingfa Gao, Petr Šulc, Daniel Binzel, Abhjeet S. Bhullar, Chenxi Liang, Peixuan Guo, Kirill A. Afonin. Biomotors, viral assembly, and RNA nanobiotechnology: Current achievements and future directions, Computational and Structural Biotechnology Journal, Volume 20, 2022, Pages 6120-6137,

Zhou, Y., & Chen, S. (2022). Graph deep learning locates magnesium ions in RNA. QRB Discovery, 3, E20. doi:10.1017/qrd.2022.17

Samuelian Jr. JS, Gremminger TJ, Song ZW, Poudyal RR, Li J, Zhou YZ, Staller SA, Carballo JA, Roychowdhury-Saha M, Chen SJ, Burke DH, Heng X, Baum DA. An RNA aptamer that shifts the reduction potential of metabolic cofactors. Nat Chem Biol 18, 1263–1269 (2022).

Gumna J, Antczak M, Adamiak RW, Bujnicki JM, Chen SJ, Ding F, Ghosh P, Li J, Mukherjee S, Nithin C, Pachulska-Wieczorek K, Ponce-Salvatierra A, Popenda M, Sarzynska J, Wirecki T, Zhang D, Zhang S, Zok T, Westhof E, Miao Z, Szachniuk M, Rybarczyk A. Computational Pipeline for Reference-Free Comparative Analysis of RNA 3D Structures Applied to SARS-CoV-2 UTR Models. Int J Mol Sci. 2022 Aug 25;23(17):9630. doi: 10.3390/ijms23179630.

Li J, Zhang S, Zhang D, Chen SJ. Vfold-Pipeline: a web server for RNA 3D structure prediction from sequences. Bioinformatics. 2022; 38(16): 4042-3. doi: 10.1093/bioinformatics/btac426.

Wasala, N, Million, E. Watkins, T. Wasala, L. Han, J. Yue, Y. Lu, B. Chen, SJ. Hakim, C. Duan, D. The gRNA vector level determines the outcome of systemic AAV CRISPR therapy for Duchenne muscular dystrophy. Hum Gene Ther. 2022;33(9-10):518-528. doi:10.1089/hum.2021.130

Xu XJ+, Jin L+, Xie LX, and Chen SJ. Landscape-zooming towards the prediction of RNA cotranscriptional folding. J Chem Theory Comput. 2022;18(3):2002-2015. doi:10.1021/acs.jctc.1c01233

Zhang SC+, Cheng Y+, Guo PX, and Chen, SJ. VfoldMCPX: Predicting multistrand RNA complexes. RNA. 2022;28(4):596-608. doi:10.1261/rna.079020.121

Jiang, YW. and Chen, SJ. RLDOCK method for predicting RNA-small molecule binding modes. Methods. 2022. 197:97-105. doi: 10.1016/j.ymeth.2021.01.009

Hakim CH, Kumar S, Perez-López D, Wasala N, Zhang D, Yue Y, Teixeira J, Pan X, Zhang K, Million E, Nelson C,Metzger S, Han J, Louderman J, Schmidt F, Feng F, Grimm D, Smith B, Yao G, Yang N, Gersbach C, Chen S-J, Herzog R, and Duan D. Cas9-specific immune responses compromise local and systemic AAV CRISPR therapy in multiple dystrophic canine models. Nat Commun 12, 6769 (2021). (Commentaries:;

Zhang D, Chen SJ, and Zhou RH. Modeling noncanonical RNA base pairs by coarse-grained IsRNA2 model. J. Phys. Chem. B 2021, 125, 43, 11907-11915

Cheng Y+, Zhang SC+, Xu XJ, and Chen SJ. Vfold2D-MC: A physics-based hybrid model for predicting RNA secondary structure folding. J. Phys. Chem. B 2021, 125, 36, 10108-10118

Zhou, YZ.+, Jiang, YW.+, Chen, SJ. RNA-ligand molecular docking: advances and challenges. Wiley Interdisciplinary Reviews (WIREs) Computational Molecular Science 2021. doi: 10.1002/wcms.1571

Zhou YZ, LI J, Hurst TH, and Chen SJ. SHAPER: A Web Server for Fast and Accurate SHAPE Reactivity Prediction. Front. Mol. Biosci. 2021. doi: 10.3389/fmolb.2021.721955

Cheng Y, Zhang D, Hurst T, Zou XQ, Giangrande P, Chen SJ. RNA structural modeling for therapeutic applications. RNA Nanotechnology and Therapeutics, 2nd Edition (2022), ISBN 9781138312869, Taylor & Francis

Li, J., Chen, SJ. RNA 3D structure prediction using coarse-grained models. Front. Mol. Biosci. 2021. 8:720937. doi: 10.3389/fmolb.2021.720937.

Xu X., Chen SJ. (2021) Predicting RNA Scaffolds with a Hybrid Method of Vfold3D and VfoldLA. In: Ponchon L. (eds) RNA Scaffolds. Methods in Molecular Biology, 2323: 1-11. Humana, New York, NY.

Song, Zhenwei; Gremminger, Thomas; Singh, Gatikrushna; Cheng, Yi; Li, Jun; Qiu, Liming; Ji, Juan; Lange, Margaret; Zuo, Xiaobing; Chen, Shi-Jie; Zou, Xiaoqin ; Boris-Lawrie, Kathleen; Heng, Xiao. (2021) The three-way junction structure of the HIV-1 PBS-segment binds host enzyme important for viral infectivity. Nucleic Acids Research. 49(10):5925-5942. doi: 10.1093/nar/gkab342.

Chen, SJ. Graph, Pseudoknot, and SARS-Cov-2 Genomic RNA - a Biophysical Synthesis. Biophysical Journal. 2021, 120(6): 980-982. doi: 10.1016/j.bpj.2021.01.030

Zhang, D.+, Li, J.+, Chen, SJ. (2021) IsRNA1: de novo prediction and blind screening of RNA 3D structures. Journal of Chemical Theory and Computation. 17(3): 1842-1857.

Hurst,TH. and Chen, SJ. Deciphering nucleotide modification-induced structure and stability changes. RNA Biology, 2021, 18 (11): 3015-3026. DOI: 10.1080/15476286.2021.1882179

Hurst,TH. and Chen, SJ. Sieving RNA 3D structures with SHAPE and evaluating mechanisms driving sequence-dependent reactivity bias. The Journal of Physical Chemistry B, 2021, 125, 4, 1156-1166. DOI: 10.1021/acs.jpcb.0c11365

Hurst,TH., Zhang, D., Zhou, YZ., Chen, SJ. A Bayes-inspired Theory for Optimally Building an Efficient Coarse-grained Folding Force Field. Communications in Information and Systems, 2021 Volume 21 Number 1 Pages: 65-83 DOI:

Sun, LZ.+, Jiang, YW.+, Zhou, YZ., Chen, SJ. RLDOCK: A new method for predicting RNA-ligand interactions. Journal of Chemical Theory and Computation, 2020 Nov 10;16(11):7173-7183. doi: 10.1021/acs.jctc.0c00798.

Zhao, CH+, Zhang, D+, Jiang, YW, Chen, SJ. Modeling loop composition and ion concentration effects in RNA hairpin folding stability. Biophys J. Volume 119, Issue 7, 6 October 2020, Pages 1439-1455. [See also "New and Notable": Petr Sulc. The Multiscale Future of RNA Modeling]

Ptacek, Jakub; Zhang, Dong; Qiu, Liming; Kruspe, Sven; Motlova, Lucia; Kolenko, Petr; Novakova, Zora; shubham, shambhavi; Havlinova, Barbora; Baranova, Petra; Chen, Shi-Jie; Zou, Xiaoqin ; Giangrande, Paloma; Barinka, Cyril. Structural Basis of Prostate-specific Membrane Antigen Recognition by the A9g RNA Aptamer. Nucleic Acids Research, Volume 48, Issue 19, 4 November 2020, Pages 11130–11145,

Xu, XJ. and Chen, SJ. Topological constraints of RNA pseudoknotted and loop-kissing motifs: applications to three-dimensional structure prediction. Nucleic Acids Research, 2020, 48(12):6503-6512. doi: 10.1093/nar/gkaa463.

Miao Z, Adamiak RW, .... Chen SJ, ... Westhof E. (2020) RNA-Puzzles Round IV: 3D structure predictions of four ribozymes and two aptamers. RNA. 26(8):982-995. doi: 10.1261/rna.075341.120.

Wasala NB, Chen SJ, Duan D. Duchenne muscular dystrophy animal models for high-throughput drug discovery and precision medicine. Expert Opinion on Drug Discovery, 2020, 15(4):443-456. doi: 10.1080/17460441.2020.1718100.

Nguyen PDM, Zheng J, Gremminger TJ, Qiu LM, Zhang D, Tuske S, Lange MJ, Griffin PR, Arnold E, Chen SJ, Zou XQ, Heng X, Burke DH. Binding interface and impact on protease cleavage for an RNA aptamer to HIV-1 reverse transcriptase. Nucleic Acids Research, 2020, 1-17. doi: 10.1093/nar/gkz1224.

Hurst,TH., Zhou, YZ., Chen, SJ. Analytical Modeling and Deep Learning Approaches to Estimating RNA SHAPE Reactivity from 3D Structure. Communications in Information and Systems. 2019; 19(3): 299-320. DOI: 10.4310/CIS.2019.v19.n3.a4.

Wang, FF., Sun, LZ., Cai, PG., Chen, SJ., Xu, XJ. Kinetic mechanism of RNA helix-terminal base pairing - a kinetic minima network analysis. Biophys J. 2019; 117(9): 1674-1683. doi: 10.1016/j.bpj.2019.09.017.

Nance ME, Shi R, Hakim CH, Wasala NB, Yue Y, Pan X, Zhang T, Robinson CA, Duan SX, Yao G, Yang NN, Chen SJ, Wagner KR, Gersbach CA, Duan D. AAV9 Edits Muscle Stem Cells in Normal and Dystrophic Adult Mice. Molecular Therapy. 2019. 27(9): 1568-1585. PMID 31327755 DOI: 10.1016/j.ymthe.2019.06.012

Sun, LZ., Zhou, YZ., Chen, SJ. Predicting Monovalent Ion Correlation Effects in Nucleic Acids. ACS Omega. 2019; 4(8):13435-13446. doi: 10.1021/acsomega.9b01689.

Chen, SJ. Minimizing Off-target Effects in CRISPR-Cas9 Genome Editing. Cell Biology and Toxicology, 2019; 35(5), 399-401. doi: 10.1007/s10565-019-09486-4.

Xu, XJ., Zhao, CH., Chen, SJ. VfoldLA: a web server for loop assembly-based prediction of putative 3D RNA structures. J Struct Biol. 2019; 207(3): 235-240. doi: 10.1016/j.jsb.2019.06.002.

Zhang, D., Hurst, T., Duan, D., Chen, SJ. Unified energetics analysis unravels SpCas9 cleavage activity for optimal gRNA design. Proc Natl Acad Sci U S A. 2019, 116(18): 8693-8698.

Nalinda B. Wasala, Chady H. Hakim, Shi-Jie Chen, N. Nora Yang, Dongsheng Duan. Questions answered and unanswered by the first CRISPR editing study in the canine model of Duchenne muscular dystrophy. Human Gene Therapy 2019 Feb 26. doi: 10.1089/hum.2018.243.

Sun L-Z, Chen S-J, Predicting RNA-Metal Ion Binding with Ion Dehydration Effects, Biophysical Journal, 2019. 116(2):184-195. doi: 10.1016/j.bpj.2018.12.006.

Chady H. Hakim, Nalinda B. Wasala, Nelson E. Christopher, Lakmini Wasala, Yongping Yue, Jacqueline Louderman, Thais B Lessa, Aihua Dai, Keqing Zhang, Gregory J Jenkins, Michael E. Nance, Xiufang Pan, Kasun Kodippili, Na Nora Yang, Shi-Jie Chen, Charles Gersbach, Dongshen Duan. (2018) AAV CRISPR editing rescues cardiac and muscle function for 18 months in dystrophic mice. JCI Insight. 2018 Dec 6;3(23). pii: 124297. doi: 10.1172/jci.insight.124297.

Sun, TT+, Zhao, CH+, Chen, SJ. Predicting Cotranscriptional Folding Kinetics for Riboswitch. J. Phys. Chem. B. 2018, 122: 7484-7496. doi: 10.1021/acs.jpcb.8b04249.

Hurst, T, Xu, XJ, Zhao, PN, Chen, SJ. Quantitative Understanding of SHAPE Mechanism from RNA Structure and Dynamics Analysis. J. Phys. Chem. B. 2018, 122: 4771-4783. DOI: 10.1021/acs.jpcb.8b00575

Zhang, D and Chen, SJ. IsRNA: An iterative simulated reference state approach to modeling correlated interactions in RNA folding. J. Chem. Theory Comput. 2018, 14: 2230–2239. DOI: 10.1021/acs.jctc.7b01228

Yu, T, Chen, SJ. Hexahydrated Mg2+ Ion Binding and Outer-Shell Dehydration on RNA Surface. Biophys J. 2018, 114: 1274-1284. doi: 10.1016/j.bpj.2018.01.040.

Xu, X, Chen, SJ. Hierarchical Assembly of RNA Three-Dimensional Structures Based on Loop Templates. J. Phys. Chem. B 2018, 122: 5327-5335. DOI: 10.1021/acs.jpcb.7b10102

Sun, LZ, Heng, X.*, Chen, SJ.* (2017) Theory Meets Experiment: Metal Ion Effects in HCV Genomic RNA Kissing Complex Formation. Front. Mol. Biosci. 4: 92. doi: 10.3389/fmolb.2017.00092 [Article]

Xinyue Zhang+, Dong Zhang+, Chenhan Zhao, Kai Tian, Ruicheng Shi, Xiao Du, Andrew Burcke, Jing Wang, Shi-Jie Chen*, and Li-Qun Gu* (2017) Nanopore electric snapshots of an RNA tertiary folding pathway. Nature Communications. 8: 1458. doi:10.1038/s41467-017-01588-z.

Kranawetter, C., Brady, S., Sun, LZ., Schroeder, M., Chen, SJ.*, Heng, X.* (2017) NMR study of RNA structures in the 3´-end of the Hepatitis C Virus genome. Biochemistry. 56: 4972-4984.

Sun, LZ, Kranawetter, C., Heng, X.*, Chen, SJ.* (2017) Predicting Ion Effects in RNA Conformational Equilibrium. The Journal of Physical Chemistry-B. 121: 8026-8036.

Sun, LZ, Zhang, JX, Chen, SJ. (2017) MCTBI: a web server for predicting metal ion effects in RNA structures. RNA. 23: 1155-1165. doi: 10.1261/rna.060947.117. [Faculty of 1000 Recommended]

Xu, X, Duan, DS, Chen, SJ. (2017) CRISPR-Cas9 cleavage efficiency correlates strongly with target-sgRNA folding stability: from physical mechanism to off-target assessment. Sci Rep. 7(1):143. doi: 10.1038/s41598-017-00180-1.

Sun, LZ+, Zhang, D+, Chen, SJ. (2017) Theory and Modeling of RNA Structure and Interactions with Metal Ions and Small Molecules. Annu Rev Biophys. 46:227-246. doi: 10.1146/annurev-biophys-070816-033920.

Sun, LZ and Chen, SJ. (2017) A new method to predict ion effects in RNA folding. Methods Mol Biol. 1632: 1-17. doi: 10.1007/978-1-4939-7138-1_1.

Zhao, CH, Xu, XJ, Chen SJ. (2017) Predicting RNA structure with Vfold. Methods in Molecular Biology, 1654: 3-15.

Miao Z, Adamiak RW, Antczak M, Batey RT, Becka AJ, Biesiada M, Boniecki MJ, Bujnicki J, Chen SJ, Cheng CY, Chou FC, Ferre-D'Amare AR, Das R, Dawson WK, Feng D, Dokholyan NV, Dunin-Horkawicz S, Geniesse C, Kappel K, Kladwang W, Krokhotin A, Łach GE, Major F, Mann TH, Magnus M, Pachulska-Wieczorek K, Patel DJ, Piccirilli JA, Popenda M, Purzycka KJ, Ren A, Rice GM, Santalucia J Jr, Sarzynska J, Szachniuk M, Tandon A, Trausch JJ, Tian S5, Wang J, Weeks KM, Williams B 2nd, Xiao Y, Xu X, Zhang D, Zok T, Westhof E. (2017) RNA-Puzzles Round III: 3D RNA structure prediction of five riboswitches and one ribozyme. RNA. 23(5):655-672. doi: 10.1261/rna.060368.116.

Xu, X and Chen, SJ. (2016) VfoldCPX Server: Predicting RNA-RNA Complex Structure and Stability. PLoS One. 11(9):e0163454. doi: 10.1371/journal.pone.0163454.

Yu T, Zhu Y, He Z, Chen SJ. (2016) Predicting Molecular Crowding Effects in Ion-RNA Interactions. J Phys Chem B. 120(34):8837-44. doi: 10.1021/acs.jpcb.6b05625. PMID: 27490487.

Sun, LZ and Chen, SJ. (2016) Monte Carlo Tightly Bound Ion Model: Predicting Ion-Binding Properties of RNA with Ion Correlations and Fluctuations. J Chem Theory Comput. 12(7):3370-81. doi: 10.1021/acs.jctc.6b00028.

Xu, XJ., Dickey, DD., Chen, SJ., Giangrande, P. (2016) Structural Computational Modeling of RNA Aptamers. Methods. 103:175-9. doi: 10.1016/j.ymeth.2016.03.004.

Urak KT, Shore S, Rockey WM, Chen SJ, McCaffrey AP, Giangrande PH. (2016) In vitro RNA SELEX for the generation of chemically-optimized therapeutic RNA drugs. Methods. 103: 167-174. doi: 10.1016/j.ymeth.2016.03.003

Xu, XJ., Chen, SJ. (2016) A method to predict the structure and stability of RNA/RNA complexes. Methods Mol Biol. 1490:63-72. doi: 10.1007/978-1-4939-6433-8_5.

Xu, XJ., Yu, T., Chen, SJ. (2016) Understanding the kinetic mechanism of RNA single base pair formation. Proc Natl Acad Sci U S A. 113(1):116-21. doi: 10.1073/pnas.1517511113. [PDF] [Faculty of 1000 Recommended]

Zhang, XY., Xu, XJ., Yang, ZY., Burcke, AJ., Gates, KS., Chen, SJ.*, Gu, LQ.* (2015) Mimicking Ribosomal Unfolding of RNA Pseudoknot in a Protein Channel. J. Am. Chem. Soc. 2015, 137, 15742−15752. DOI: 10.1021/jacs.5b07910. [PDF] *Corresponding authors.

Xu, XJ., Chen, SJ. (2015) Physics-based RNA structure prediction. Biophysics Reports. DOI: 10.1007/s41048-015-0001-4. [PDF]

Zhichao Miao, Ryszard W. Adamiak, Marc-Frederick Blanchet, Michal Boniecki, Janusz M. Bujnicki, Shi-Jie Chen, Clarence Cheng, Grzegorz Chojnowski, Fang-Chieh Chou, Pablo Cordero, Jose Almeida Cruz, Adrian R. Ferre-D'Amare, Rhiju Das, Feng Ding, Nikolay V. Dokholyan, Stanislaw Dunin-Horkawicz, Wipapat Kladwang, Andrey Krokhotin, Grzegorz Lach, Marcin Magnus, François Major, Thomas H. Mann, Benoit Masquida, Dorota Matelska, Melanie Meyer, Alla Peselis, Mariusz Popenda, Katarzyna J. Purzycka, Alexander Serganov, Juliusz Stasiewicz, Marta Szachniuk, Arpit Tandon, Siqi Tian, Jian Wang, Yi Xiao, Xiaojun Xu, Jinwei Zhang, Peinan Zhao, Tomasz Zok, and Eric Westhof (2015) RNA-Puzzles Round II: assessment of RNA structure prediction programs applied to three large RNA structures. RNA, 21:1-19. [PDF]

Zhu, YH, He, ZJ., Chen, SJ. (2015) TBI server: a web server for predicting ion effects in RNA folding. PLoS ONE doi: 10.1371/journal.pone.0119705. [PDF]

Shi-Jie Chen and Donald Burke (ed) (2015) Computational Methods for Understanding Riboswitches, Volume 553, Methods in Enzymology, Academic Press. ISBN-13: 978-0128014295, ISBN-10: 0128014296. [Elsevier Link]; [Amazon Link]

Xu, XJ., Chen, SJ. (2015) A Method to Predict the 3D Structure of an RNA Scaffold. Methods Mol Biol. 1316: 1-11. doi: 10.1007/978-1-4939-2730-2_1. [PDF]

Xu, XJ., Zhao, PN., Chen, SJ. (2014) Vfold: a web server for RNA structure and folding thermodynamics prediction. PLoS ONE doi: 10.1371/journal.pone.0107504. [PDF]

Miao, Z., Blanchet, M. F., Boniecki, M., Bujnicki, J. M., Chen, SJ., Cheng, C., ... & Westhof, E. (2014). RNA-Puzzles Round II: assessment of RNA structure prediction of two large riboswitches. FEBS JOURNAL 281: 638-639.

Zhu, YH., Chen, SJ. (2014) Many-body effect in ion binding to RNA. J. Chem. Phys. [Featured article], 141, 055101 (2014); [PDF]

Cao, S*, Xu, XJ,*, Chen, SJ. (2014) Predicting Structure and Stability for RNA Complexes with Intermolecular Loop-loop Base Pairing. RNA, 20:835-45. doi: 10.1261/rna.043976.113. *Equal first author. [PDF]

He, ZJ., Zhu, YH., Chen, SJ. (2014) Exploring Electrostatic Energy Landscape for Tetraloop-Receptor Docking. Phys. Chem. Chem. Phys., 16 (14), 6367-6375. . [PDF]

K Tian, Z He, Y Wang, SJ Chen, LQ Gu (2013) Designing a Polycationic Probe for Simultaneous Enrichment and Detection of microRNAs in a Nanopore. ACS Nano, 2013, 7 (5), pp 3962–3969. DOI: 10.1021/nn305789z. [PDF]

He, ZJ., Chen, SJ. (2013) Quantifying Coulombic and Solvent Polarization-Mediated Forces Between DNA Helices. J. Phys. Chem. B, 117 (24), pp 7221-7227. DOI: 10.1021/jp4010955. [PDF]

Liu, L, Chen, SJ. (2012) Coarse-grained prediction of RNA loop structures. PLoS ONE. [PDF]

Xu, XJ, Chen, SJ. (2012) Kinetic mechanism of conformational switch between bistable RNA hairpins. Journal of the American Chemical Society, 134 (30), pp 12499-12507 DOI: 10.1021/ja3013819 . [PDF]

Tan, ZJ, Chen, SJ. (2012) Ion-mediated RNA structural collapse: effect of spatial confinement. Biophysical Journal, 103 (4), 827-836. [PDF]

He, ZJ., Chen, SJ. (2012) Predicting ion-nucleic acid interactions by energy landscape-guided sampling. Journal of Chemical Theory and Computation, 8 (6), pp 2095-2102. DOI: 10.1021/ct300227a [PDF]

Jose Almeida Cruz, Marc-Frederick Blanchet, Michal Boniecki, Janusz M. Bujnick, Shi-Jie Chen, Song Cao, Rhiju Das, Feng Ding, Nikolay V. Dokholyan, Samuel Coulbourn Flores, Lili Huang, Christopher A. Lavender, Veronique Lisi, Francois Major, Katarzyna Mikolajczak, Dinshaw J. Patel, Anna Philips, Tomasz Puton, John Santalucia, Fredrick Sijenyi, Thomas Hermann, Kristian Rother, Magdalena Rother, Alexander Serganov, Marcin Skorupski, Tomasz Soltysinski, Parin Sripakdeevong, Irina Tuszynska, Kevin M. Weeks, Christina Waldsich, Michael Wildauer, Neocles B. Leontis, and Eric Westhof (2012) RNA-Puzzles: A CASP-like evaluation of RNA three-dimensional structure prediction. RNA. 18 (4) doi: 10.1261/rna.031054.111 [PDF]

Cao, S, Chen, SJ. (2012) Statistical mechanical modeling of RNA folding: from free energy landscape to tertiary structural prediction. Nucleic Acids Mol Biol. 27: 185-212. [link]

Cao, S., Chen, SJ. (2012) A domain-based model for predicting large and complex pseudoknotted structures. RNA Biology. 9: 201-212. [PDF]

Cao, S., Chen, SJ. (2012) Predicting kissing interactions in microRNA–target complex and assessment of microRNA activity. Nucleic Acids Research doi: 10.1093/nar/gks052 [PDF]

Zhao, PN., Zhang, WB., Chen, SJ. (2011) Cotranscriptional folding kinetics of RNA secondary structures. Journal of Chemical Physics, 135, 245101 (2011); (10 pages) [PDF]

Chen, GS, Chen, SJ. (2011) Quantitative analysis of the ion-dependent folding stability of DNA triplexes. Physical Biology. 8: 066006 (9pp) [PDF]

Cao, S., Chen, SJ. (2011) Structure and stability of RNA/RNA kissing complex: with application to HIV dimerization initiation signal. RNA. 17: 2130-2143. [PDF]

Rockey, W.M., Hernandez, F.J., Huang, S.Y., Cao, S., Howell, C.A., Thomas, G.S., Liu, X.Y., Lapteva, N., Spencer, D.M., McNamara II, J.O., Zou, X., Chen, SJ., Giangrande, P.H. (2011) Rational truncation of an RNA aptamer to prostate specific membrane antigen using computational structural modeling. Nucleic Acid Therapeutic, 21: 299-314. [PDF]

Stammler, S.N., Cao, S., Chen, SJ, Giedroc, D.P. (2011) A conserved RNA pseudoknot in a putative molecular switch domain of the 3' untranslated region of coronaviruses is only marginally stable. RNA, 17: 1747-1759. [PDF]

Tan, ZJ, Chen, SJ. (2011) Salt contribution to RNA tertiary structure folding stability. Biophysical Journal, 101: 176-187. [PDF]

Cao, S., Chen, SJ. (2011) Physics-based de novo prediction of RNA 3D structures. The Journal of Physical Chemistry B, 115:4216-26. [PDF]

Cao, S., Fuertig, B., Schwalbe, Harald., Chen, SJ. (2010) Folding Kinetics for the Conformational Switch between Alternative RNA Structures. The Journal of Physical Chemistry B, 114: 13609-13615. [PDF]

Tan, ZJ., Chen, SJ. (2010) Predicting ion binding properties for RNA tertiary structures. Biophysical Journal, 99: 1565-1576 [PDF]

Liu, L., Chen, SJ. (2010) Computing the conformational entropy for RNA folds. Journal of Chemical Physics, 132, 235104; doi:10.1063/1.3447385 (12 pages) [PDF]

Zhao, PN., Zhang, WB., Chen, SJ. (2010) Predicting Secondary Structural Folding Kinetics for Nucleic Acids. Biophysical Journal, 98: 1617-1625. [PDF]

Cao, S., Giedroc, DP., Chen, SJ. (2010) Predicting loop-helix tertiary structural contacts in RNA pseudoknots. RNA, 16: 538-552. [PDF]

Chen, GS., Tan, ZJ., Chen, SJ. (2010) Salt dependent folding energy landscape of RNA three-way junction. Biophysical Journal, 98: 111-120. [PDF]

Tan, ZJ, Chen, SJ. (2010) Importance of Diffuse Metal Ion Binding to RNA, Chapter 3 in "Structural and Catalytic Roles of Metal Ions in RNA" (volume of METAL IONS IN LIFE SCIENCES), edited by Astrid Sigel, Helmut Sigel, and Roland K. O. Sigel. Royal Society of Chemistry Publishing. [PDF]

Cao, S., Chen, SJ. (2009) Predicting structures and stabilities for H-type pseudoknots with inter-helix loop. RNA, 15: 696-706. [PDF] [Faculty of 1000 Recommended]

Cao, S., Chen, SJ. (2009) A new computational approach for mechanical folding kinetics of RNA hairpins. Biophysical Journal, 96: 4024-4034 [PDF]

Tan, ZJ, Chen, SJ. (2009) Predicting electrostatic forces in RNA folding, 465: 465-487, Chapter 22 in "Biophysical Approaches to RNA Structure and Folding" (volume of Methods in Enzymology), edited by Daniel Herschlag. [PDF]

Chen, SJ. (2008) RNA Folding: Conformational Statistics, Folding Kinetics, and Ion Electrostatics. Annual Review of Biophysics 37: 197-214. (NIHMSID: 55566)[PDF]

Cao, S., Chen, SJ. (2008) Predicting ribosomal frameshifting efficiency. Physical Biology 5, 016002: 1-10. (NIHMSID: 55567)[PDF]

Tan, ZJ., Chen, SJ. (2008) Electrostatic free energy landscapes for DNA helix bending. Biophysical Journal 94: 3137-3149. (NIHMSID: 55573)[PDF]

Tan, ZJ., Chen, SJ. (2008) Salt dependence of nucleic acid hairpin stability. Biophysical Journal 95: 738-752. (NIHMSID: 55574)[PDF]

Chen, SJ., Cao, S., Kopeikin, Z., Zhang, WB. Polymer Statistical Mechanics for RNA Folding. In "Concepts in Protein Computations", (Ed. Robert L. Jernigan, Andrzej Kloczkowski), Cambridge University Press. To be published.

Cao, S., Chen, SJ. (2007) Biphasic folding kinetics of RNA pseudoknots and telomerase RNA activity. Journal of Molecular Biology 367: 909-924. (PMCID: PMC1995092) [PDF]

Tan, ZJ., Chen, SJ. (2007) RNA helix stability in mixed Na+/Mg2+ solution. Biophysical Journal 92: 3615-3632. (PMCID: PMC1853146) [PDF]

Tan, ZJ., Chen, SJ. (2006) Electrostatic free energy landscape for nucleic acid helix assembly. Nucleic Acids Research 34: 6629-6639. [PDF] [Faculty of 1000 Recommended]

Cao, S., Chen, SJ. (2006) Predicting RNA pseudoknot folding thermodynamics. Nucleic Acids Research 34: 2634-2652, 2006. (PMCID: PMC1463895) [PDF]

Tan, ZJ., Chen, SJ. (2006) Ion-mediated nucleic acid helix-helix interactions. Biophysical Journal 91: 518-536. (PMCID: PMC1483110) [PDF]

Kopeikin, Z., Chen, SJ. (2006) Folding thermodynamics of pseudoknotted chain conformations. Journal of Chemical Physics 124, 154903: 1-13. (NIHMSID: 55563) [PDF]

Cao, S., Chen, SJ. (2006) Free energy landscapes of RNA/RNA complexes - with applications to snRNA complexes in spliceosomes. Journal of Molecular Biology 356: 292-312. (NIHMSID: 55564) [PDF]

Zhang, WB., Chen, SJ. (2006) Exploring the complex folding kinetics of RNA hairpins. 2. effect of sequence, length, and misfolded states. Biophysical Journal 90: 778-787. (PMCID: PMC1367103) [PDF]

Zhang, WB., Chen, SJ. (2006) Exploring the complex folding kinetics of RNA hairpins. 1. general folding kinetics analysis. Biophysical Journal 90: 765-777. (PMCID: PMC1367102) [PDF]

Tan, ZJ., Chen, SJ. (2006) Nucleic acid helix stability: effects of salt concentration, cation valence and size, and chain length. Biophysical Journal 90: 1175-1190. (PMCID: PMC1367269) [PDF]

Chen, SJ., Tan, ZJ., Cao, S., Zhang, WB. (2006) Statistical mechanics of RNA folding. Physics (Chinese) 35: 218-229. (NIHMSID: 56190) [PDF]

Cao, S., Chen, SJ. (2005) Predicting RNA folding thermodynamics with a reduced chain representation model. RNA 11: 1884-1897. (PMCID: PMC1370876) [PDF]

Kopeikin, Z., Chen, SJ. (2005) Statistical thermodynamics for chain molecules with simple RNA tertiary contacts. Journal of Chemical Physics 122, 094909: 1-13. (NIHMSID: 55565) [PDF]

Tan, ZJ., Chen, SJ. (2005) Electrostatic correlations and fluctuations for ion binding to a finite length polyelectrolyte. Journal of Chemical Physics 122, 044903: 1-16. (NIHMSID: 55562) [PDF]

Zhang, WB., Chen, SJ. (2003) Analyzing the folding rates and pathways using kinetic cluster method. Journal of Chemical Physics 119: 8716-8729. (NIHMSID: 55561) [PDF]

Zhang, WB., Chen, SJ. (2003) Master equation approach to finding the rate-limiting steps in biopolymer folding. Journal of Chemical Physics 118: 3413-3420. (NIHMSID: 55560) [PDF]

Zhang, WB., Chen, SJ. (2002) RNA hairpin-folding kinetics. Proceedings of the National Academy of Sciences U.S.A. 99: 1931-1936. [PDF]

Zhang, WB., Chen, SJ. (2001) A three-dimensional statistical mechanical model of folding double-stranded chain molecules. Journal of Chemical Physics 114: 7669-7681. [PDF]

Tostesen, E., Chen, SJ., Dill, K. A. (2001) RNA folding transitions and cooperativity. Journal of Physical Chemistry B 105: 1618-1630. [PDF]

Zhang, WB., Chen, SJ. (2001) Predicting free energy landscapes for complexes of double stranded chain molecules. Journal of Chemical Physics 114: 4253-4266. [PDF]

Chen, SJ., Dill, K. A. (2000) RNA folding energy landscapes. Proceedings of the National Academy of Sciences U.S.A 97: 646-651. [PDF]