@article{xiao_kilgore_sarma_chu_menegatti_hall_2022, title={<p>De novo discovery of peptide-based affinity ligands for the fab fragment of human immunoglobulin G</p>}, volume={1669}, ISSN={["1873-3778"]}, DOI={10.1016/j.chroma.2022.462941}, journal={JOURNAL OF CHROMATOGRAPHY A}, author={Xiao, Xingqing and Kilgore, Ryan and Sarma, Sudeep and Chu, Wenning and Menegatti, Stefano and Hall, Carol K.}, year={2022}, month={Apr} }
 @article{sarma_herrera_xiao_hudalla_hall_2022, title={Computational Design and Experimental Validation of ACE2-Derived Peptides as SARS-CoV-2 Receptor Binding Domain Inhibitors}, volume={126}, ISSN={["1520-5207"]}, DOI={10.1021/acs.jpcb.2c039188129J}, number={41}, journal={JOURNAL OF PHYSICAL CHEMISTRY B}, author={Sarma, Sudeep and Herrera, Stephanie M. and Xiao, Xingqing and Hudalla, Gregory A. and Hall, Carol K.}, year={2022}, month={Oct}, pages={8129–8139} }
 @article{xiao_wang_seroski_wong_liu_paravastu_hudalla_hall_2021, title={De novo design of peptides that coassemble into beta sheet-based nanofibrils}, volume={7}, ISSN={["2375-2548"]}, DOI={10.1126/sciadv.abf7668}, number={36}, journal={SCIENCE ADVANCES}, author={Xiao, Xingqing and Wang, Yiming and Seroski, Dillon T. and Wong, Kong M. and Liu, Renjie and Paravastu, Anant K. and Hudalla, Gregory A. and Hall, Carol K.}, year={2021}, month={Sep} }
 @article{wong_robang_lint_wang_dong_xiao_seroski_liu_shao_hudalla_et al._2021, title={Engineering beta-Sheet Peptide Coassemblies for Biomaterial Applications}, volume={12}, ISSN={["1520-5207"]}, DOI={10.1021/acs.jpcb.1c04873}, journal={JOURNAL OF PHYSICAL CHEMISTRY B}, author={Wong, Kong M. and Robang, Alicia S. and Lint, Annabelle H. and Wang, Yiming and Dong, Xin and Xiao, Xingqing and Seroski, Dillon T. and Liu, Renjie and Shao, Qing and Hudalla, Gregory A. and et al.}, year={2021}, month={Dec} }
 @article{xiao_sarma_menegatti_crook_magness_hall_2021, title={In Silico Identification and Experimental Validation of Peptide-Based Inhibitors Targeting Clostridium difficile Toxin A}, volume={17}, ISSN={["1554-8937"]}, url={https://doi.org/10.1021/acschembio.1c00743}, DOI={10.1021/acschembio.1c00743}, number={1}, journal={ACS CHEMICAL BIOLOGY}, publisher={American Chemical Society (ACS)}, author={Xiao, Xingqing and Sarma, Sudeep and Menegatti, Stefano and Crook, Nathan and Magness, Scott T. and Hall, Carol K.}, year={2021}, month={Dec} }
 @article{xiao_kuang_burke_chushak_farmer_mirau_naik_hall_2020, title={In Silico Discovery and Validation of Neuropeptide-Y-Binding Peptides for Sensors}, volume={124}, ISSN={["1520-5207"]}, DOI={10.1021/acs.jpcb.9b09439}, number={1}, journal={JOURNAL OF PHYSICAL CHEMISTRY B}, author={Xiao, Xingqing and Kuang, Zhifeng and Burke, B. J. and Chushak, Yaroslav and Farmer, Barry L. and Mirau, Peter A. and Naik, Rajesh R. and Hall, Carol K.}, year={2020}, month={Jan}, pages={61–68} }
 @article{reese_xiao_shanahan_driessche_fourches_carbonell_hall_menegatti_2020, title={Novel peptide ligands for antibody purification provide superior clearance of host cell protein impurities}, volume={1625}, ISSN={["1873-3778"]}, DOI={10.1016/j.chroma.2020.461237}, journal={JOURNAL OF CHROMATOGRAPHY A}, author={Reese, Hannah R. and Xiao, Xingqing and Shanahan, Calvin C. and Driessche, George A. and Fourches, Denis and Carbonell, Ruben G. and Hall, Carol K. and Menegatti, Stefano}, year={2020}, month={Aug} }
 @article{yan_tang_zhou_yang_xiao_chen_qin_sun_2019, title={All-silica zeolites screening for capture of toxic gases from molecular simulation}, volume={27}, ISSN={["2210-321X"]}, DOI={10.1016/j.cjche.2018.02.025}, number={1}, journal={CHINESE JOURNAL OF CHEMICAL ENGINEERING}, author={Yan, Zhiguo and Tang, Sai and Zhou, Xumiao and Yang, Li and Xiao, Xingqing and Chen, Houyang and Qin, Yuanhang and Sun, Wei}, year={2019}, month={Jan}, pages={174–181} }
 @article{xiejun_xingqing_shouhong_hongai_2019, title={Computational Study of Thermosensitivity of Liposomes Modulated by Leucine Zipper-Structured Lipopeptides}, volume={35}, ISSN={["1000-6818"]}, DOI={10.3866/PKU.WHXB201806034}, number={6}, journal={ACTA PHYSICO-CHIMICA SINICA}, author={Xiejun, Xu and Xingqing, Xiao and Shouhong, Xu and Hongai, Liu}, year={2019}, pages={598–606} }
 @article{li_chen_xiao_yang_peng_qin_wang_sun_wang_2019, title={Computational study of transition states for reaction path of energetic material TKX-50}, volume={37}, ISSN={["1545-8822"]}, DOI={10.1080/07370652.2019.1590482}, number={2}, journal={JOURNAL OF ENERGETIC MATERIALS}, author={Li, Miao and Chen, Houyang and Xiao, Xingqing and Yang, Li and Peng, Changjun and Qin, Yuanhang and Wang, Tielin and Sun, Wei and Wang, Cunwen}, year={2019}, month={Apr}, pages={240–250} }
 @article{tong_xiao_liang_solms_huo_he_zhang_2019, title={Insights into the solvation and dynamic behaviors of a lithium salt in organic- and ionic liquid-based electrolytes}, volume={21}, ISSN={["1463-9084"]}, DOI={10.1039/c9cp01848d}, number={35}, journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS}, author={Tong, Jiahuan and Xiao, Xingqing and Liang, Xiaodong and Solms, Nicolas and Huo, Feng and He, Hongyan and Zhang, Suojiang}, year={2019}, month={Sep}, pages={19216–19225} }
 @article{xiao_kuang_slocik_tadepalli_brothers_kim_mirau_butkus_farmer_singamaneni_et al._2018, title={Advancing Peptide-Based Biorecognition Elements for Biosensors Using in-Silico Evolution}, volume={3}, ISSN={["2379-3694"]}, DOI={10.1021/acssensors.8b00159}, number={5}, journal={ACS SENSORS}, author={Xiao, Xingqing and Kuang, Zhifeng and Slocik, Joseph M. and Tadepalli, Sirimuvva and Brothers, Michael and Kim, Steve and Mirau, Peter A. and Butkus, Claire and Farmer, Barry L. and Singamaneni, Srikanth and et al.}, year={2018}, month={May}, pages={1024–1031} }
 @article{zhou_su_chen_xiao_qin_yang_yan_sun_2018, title={Capture of pure toxic gases through porous materials from molecular simulations}, volume={116}, ISSN={["1362-3028"]}, DOI={10.1080/00268976.2018.1440019}, number={15-16}, journal={MOLECULAR PHYSICS}, author={Zhou, Xumiao and Su, Zejun and Chen, Houyang and Xiao, Xingqing and Qin, Yuanhang and Yang, Li and Yan, Zhiguo and Sun, Wei}, year={2018}, pages={2095–2107} }
 @article{kang_xiao_huang_yuan_tang_dai_zeng_2018, title={Potent aromatase inhibitors and molecular mechanism of inhibitory action}, volume={143}, ISSN={["1768-3254"]}, DOI={10.1016/j.ejmech.2017.11.057}, journal={EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY}, author={Kang, Hongjun and Xiao, Xingqing and Huang, Chao and Yuan, Yan and Tang, Dongyan and Dai, Xiaochang and Zeng, Xianghui}, year={2018}, month={Jan}, pages={426–437} }
 @article{xiao_wang_leonard_hall_2017, title={Extended Concerted Rotation Technique Enhances the Sampling Efficiency of the Computational Peptide-Design Algorithm}, volume={13}, ISSN={["1549-9626"]}, DOI={10.1021/acs.jctc.7b00714}, number={11}, journal={JOURNAL OF CHEMICAL THEORY AND COMPUTATION}, author={Xiao, Xingqing and Wang, Yiming and Leonard, Joshua N. and Hall, Carol K.}, year={2017}, month={Nov}, pages={5709–5720} }
 @article{xiao_hung_leonard_hall_2016, title={Adding energy minimization strategy to peptide-design algorithm enables better search for RNA-binding peptides: Redesigned N peptide binds boxB RNA}, volume={37}, ISSN={["1096-987X"]}, DOI={10.1002/jcc.24466}, number={27}, journal={JOURNAL OF COMPUTATIONAL CHEMISTRY}, author={Xiao, Xingqing and Hung, Michelle E. and Leonard, Joshua N. and Hall, Carol K.}, year={2016}, month={Oct}, pages={2423–2435} }
 @article{xu_xiao_xu_liu_2016, title={Computational insights into the destabilization of alpha-helical conformations formed by leucine zipper peptides in response to temperature}, volume={18}, ISSN={["1463-9084"]}, DOI={10.1039/c6cp05145f}, number={36}, journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS}, author={Xu, Xiejun and Xiao, Xingqing and Xu, Shouhong and Liu, Honglai}, year={2016}, month={Sep}, pages={25465–25473} }
 @article{xiao_agris_hall_2016, title={Introducing folding stability into the score function for computational design of RNA-binding peptides boosts the probability of success}, volume={84}, ISSN={["1097-0134"]}, DOI={10.1002/prot.25021}, number={5}, journal={PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS}, author={Xiao, Xingqing and Agris, Paul F. and Hall, Carol K.}, year={2016}, month={May}, pages={700–711} }
 @article{xiao_zhao_yang_liang_ren_2016, title={Probe the Binding Mode of Aristololactam-beta-D-glucoside to Phenylalanine Transfer RNA in Silico}, volume={1}, ISSN={["2365-6549"]}, DOI={10.1002/slct.201600603}, number={17}, journal={CHEMISTRYSELECT}, author={Xiao, Xingqing and Zhao, Binwu and Yang, Li and Liang, Xiaodong and Ren, Yingqian}, year={2016}, month={Oct}, pages={5430–5439} }
 @article{xiao_zhao_agris_hall_2016, title={Simulation study of the ability of a computationally-designed peptide to recognize target tRNA(Lys3) and other decoy tRNAs}, volume={25}, ISSN={["1469-896X"]}, DOI={10.1002/pro.3056}, number={12}, journal={PROTEIN SCIENCE}, author={Xiao, Xingqing and Zhao, Binwu and Agris, Paul F. and Hall, Carol K.}, year={2016}, month={Dec}, pages={2243–2255} }
 @article{xiao_agris_hall_2015, title={Designing Peptide Sequences in Flexible Chain Conformations to Bind RNA: A Search Algorithm Combining Monte Carlo, Self-Consistent Mean Field and Concerted Rotation Techniques}, volume={11}, ISSN={["1549-9626"]}, DOI={10.1021/ct5008247}, number={2}, journal={JOURNAL OF CHEMICAL THEORY AND COMPUTATION}, author={Xiao, Xingqing and Agris, Paul F. and Hall, Carol K.}, year={2015}, month={Feb}, pages={740–752} }
 @article{xiao_zhao_ren_2015, title={Effect of curvature on properties of diblock copolymers confined between two coaxial cylinders: 1. Layer thickness of a curved monolayer}, volume={633}, ISSN={["1873-4448"]}, DOI={10.1016/j.cplett.2015.05.016}, journal={CHEMICAL PHYSICS LETTERS}, author={Xiao, Xingqing and Zhao, Binwu and Ren, Yingqian}, year={2015}, month={Jul}, pages={58–64} }
 @article{xiao_zhao_yang_ren_2015, title={Effect of curvature on properties of diblock copolymers confined between two coaxial cylinders: 2. Domain adjustment in a curved bilayer}, volume={639}, ISSN={["1873-4448"]}, DOI={10.1016/j.cplett.2015.10.032}, journal={CHEMICAL PHYSICS LETTERS}, author={Xiao, Xingqing and Zhao, Binwu and Yang, Li and Ren, Yingqian}, year={2015}, month={Oct}, pages={326–334} }
 @article{xiao_agris_hall_2015, title={Molecular recognition mechanism of peptide chain bound to the tRNA(Lys3) anticodon loop in silico}, volume={33}, ISSN={["1538-0254"]}, DOI={10.1080/07391102.2013.869660}, number={1}, journal={JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS}, author={Xiao, Xingqing and Agris, Paul F. and Hall, Carol K.}, year={2015}, month={Jan}, pages={14–27} }
 @article{curtis_xiao_sofou_hall_2015, title={Phase Separation Behavior of Mixed Lipid Systems at Neutral and Low pH: Coarse-Grained Simulations with DMD/LIME}, volume={31}, ISSN={["0743-7463"]}, DOI={10.1021/la504082x}, number={3}, journal={LANGMUIR}, author={Curtis, Emily M. and Xiao, Xingqing and Sofou, Stavroula and Hall, Carol K.}, year={2015}, month={Jan}, pages={1086–1094} }
 @article{spears_xiao_hall_agris_2014, title={Amino Acid Signature Enables Proteins to Recognize Modified tRNA}, volume={53}, ISSN={0006-2960 1520-4995}, url={http://dx.doi.org/10.1021/bi401174h}, DOI={10.1021/bi401174h}, number={7}, journal={Biochemistry}, publisher={American Chemical Society (ACS)}, author={Spears, Jessica L. and Xiao, Xingqing and Hall, Carol K. and Agris, Paul F.}, year={2014}, month={Feb}, pages={1125–1133} }
 @article{xiao_hall_agris_2014, title={The design of a peptide sequence to inhibit HIV replication: a search algorithm combining Monte Carlo and self-consistent mean field techniques}, volume={32}, ISSN={["1538-0254"]}, DOI={10.1080/07391102.2013.825757}, number={10}, journal={JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS}, author={Xiao, Xingqing and Hall, Carol K. and Agris, Paul F.}, year={2014}, pages={1523–1536} }