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  1. 1.   Structural basis of antifolate recognition and transport by PCFT
  2. Parker, Joanne L.; Deme,Justin; Kuteyi, Gabriel; Wu, Zhiyi; Huo, Jiandong; Goldman, I. David; Owens, Raymond J.; Biggin, Philip C.; Lea,Susan; Newstead, Simon
  3. Nature. 2021, Jul; 595(7865): 130-134.
  1. 2.   The mechanism of full activation of tumor suppressor PTEN at the phosphoinositide-enriched membrane
  2. Jang,Hyunbum; Smith, Iris Nira; Eng, Charis; Nussinov,Ruth
  3. iScience. 2021, May 21; 24(5):
  1. 3.   What Markov State Models Can and Cannot Do: Correlation versus Path-Based Observables in Protein-Folding Models
  2. Suarez Alvarez,Ernesto; Wiewiora, Rafal P.; Wehmeyer, Chris; Noe, Frank; Chodera, John D.; Zuckerman, Daniel M.
  3. Journal of chemical theory and computation. 2021, May 11; 17(5): 3119-3133.
  1. 4.   Mechanistic Differences of Activation of Rac1(P29S) and Rac1(A159V)
  2. Senyuz, Simge; Jang,Hyunbum; Nussinov,Ruth; Keskin, Ozlem; Gursoy, Attila
  3. Journal of Physical Chemistry B. 2021, Apr 22; 125(15): 3790-3802.
  1. 5.   Amyloid Oligomers: A Joint Experimental/Computational Perspective on Alzheimer's Disease, Parkinson's Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis
  2. Nguyen, Phuong H.; Ramamoorthy, Ayyalusamy; Sahoo, Bikash R.; Zheng, Jie; Faller, Peter; Straub, John E.; Dominguez, Laura; Shea, Joan-Emma; Dokholyan, Nikolay; De Simone, Alfonso; Ma, Buyong; Nussinov,Ruth; Najafi, Saeed; Ngo, Son Tung; Loquet, Antoine; Chiricotto, Mara; Ganguly, Pritam; McCarty, James; Li, Mai Suan; Hall, Carol; Wang, Yiming; Miller, Yifat; Melchionna, Simone; Habenstein, Birgit; Timr, Stepan; Chen, Jiaxing; Hnath, Brianna; Strodel, Birgit; Kayed, Rakez; Lesne, Sylvain; Wei, Guanghong; Sterpone, Fabio; Doig, Andrew J.; Derreumaux, Philippe
  3. Chemical Reviews. 2021, Feb 24; 121(4): 2545-2647.
  1. 6.   Membrane surface recognition by the ASAP1 PH domain and consequences for interactions with the small GTPase Arf1
  2. Soubias, Olivier; Pant, Shashank; Heinrich, Frank; Zhang,Yue; Roy, Neeladri Sekhar; Li,Jess; Jian, Xiaoying; Yohe, Marielle E; Randazzo, Paul A; Lösche, Mathias; Tajkhorshid, Emad; Byrd,Robert
  3. Science advances. 2020, Sep; 6(40): pii: eabd1882.
  1. 7.   Anionic Lipids Impact RAS-Binding Site Accessibility and Membrane Binding Affinity of CRAF RBD-CRD
  2. Travers, Timothy; López, Cesar A; Agamasu, Constance; Hettige, Jeevapani J; Messing,Simon; García, Angel E; Stephen, Andrew G; Gnanakaran, S
  3. Biophysical journal. 2020, AUG 4; 119(3): 525-538.
  1. 8.   Modeling ligand docking to RNA in the design of RNA-based nanostructures
  2. Kasprzak,Wojciech; Ahmed, Nour Ali; Shapiro,Bruce
  3. Current opinion in biotechnology. 2020, JUN; 63: 16-25.
  1. 9.   Cryo-EM structure of a dimeric B-Raf:14-3-3 complex reveals asymmetry in the active sites of B-Raf kinases
  2. Kondo, Yasushi; Ognjenovic,Jana; Banerjee, Saikat; Karandur, Deepti; Merk,Alan; Kulhanek, Kayla; Wong, Kathryn; Roose, Jeroen P.; Subramaniam, Sriram; Kuriyan, John
  3. SCIENCE. 2019, OCT 4; 366(6461): 109-+.
  1. 10.   Arl2-Mediated Allosteric Release of Farnesylated KRas4B from Shuttling Factor PDE delta
  2. Ozdemir, E. Sila; Jang, Hyunbum; Gursoy, Attila; Keskin, Ozlem; Nussinov, Ruth
  3. JOURNAL OF PHYSICAL CHEMISTRY B. 2018, Aug 2; 122(30): 7503-7513.
  1. 11.   A New Mixed All-Atom/Coarse-Grained Model: Application to Melittin Aggregation in Aqueous Solution
  2. Shelley, Mee Y.; SeIvan, Myvizhi Esai; Zhao, Jun; Babin, Volodymyr; Liao, Chenyi; Li, Jianing; Shelley, John C.
  3. JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 2017, Aug; 13(8): 3881-3897.
  1. 12.   Cullin neddylation may allosterically tune polyubiquitin chain length and topology
  2. Onel, Melis; Sumbul, Fidan; Liu, Jin; Nussinov, Ruth; Haliloglu, Turkan
  3. BIOCHEMICAL JOURNAL. 2017, Feb 20; 474(5): 781-795.
  1. 13.   Folding behavior of a T-shaped, ribosome-binding translation enhancer implicated in a wide-spread conformational switch
  2. Le, My-Tra; Kasprzak, Wojciech; Kim, Taejin; Gao, Feng; Young, Megan Y. L.; Yuan, Xuefeng; Shapiro, Bruce; Seog, Joonil; Simon, Anne E.
  3. ELIFE. 2017, Feb 13; 6: e22883.
  1. 14.   The Enolization Chemistry of a Thioester-Dependent Racemase: The 1.4 angstrom Crystal Structure of a Reaction Intermediate Complex Characterized by Detailed QM/MM Calculations
  2. Sharma, S.; Bhaumik, P.; Schmitz, W.; Venkatesan, R.; Hiltunen, J. K.; Conzelmann, E.; Juffer, A. H.; Wierenga, R. K.
  3. Journal of Physical Chemistry B. 2012, Mar; 116(11): 3619-3629.
  1. 15.   All-D-Enantiomer of beta-Amyloid Peptide Forms Ion Channels in Lipid Bilayers
  2. Capone, R.; Jang, H.; Kotler, S. A.; Connelly, L.; Arce, F. T.; Ramachandran, S.; Kagan, B. L.; Nussinov, R.; Lal, R.
  3. Journal of Chemical Theory and Computation. 2012, Mar; 8(3): 1143-1152.
  1. 16.   Atomic Force Microscopy and MD Simulations Reveal Pore-Like Structures of All-D-Enantiomer of Alzheimer's beta-Amyloid Peptide: Relevance to the Ion Channel Mechanism of AD Pathology
  2. Connelly, L.; Jang, H.; Arce, F. T.; Capone, R.; Kotler, S. A.; Ramachandran, S.; Kagan, B. L.; Nussinov, R.; Lal, R.
  3. Journal of Physical Chemistry B. 2012, Feb; 116(5): 1728-1735.
  1. 17.   Polymorphic Triple beta-Sheet Structures Contribute to Amide Hydrogen/Deuterium (H/D) Exchange Protection in the Alzheimer Amyloid beta 42 Peptide
  2. Ma, B. Y.; Nussinov, R.
  3. Journal of Biological Chemistry. 2011, Sep; 286(39): 34244-34253.
  1. 18.   Polymorphism of amyloid beta peptide in different environments: implications for membrane insertion and pore formation
  2. Arce, F. T.; Jang, H. B.; Ramachandran, S.; Landon, P. B.; Nussinov, R.; Lal, R.
  3. Soft Matter. 2011, Jun 7; 7(11): 5267-5273.
  1. 19.   Synergistic Interactions between Repeats in Tau Protein and A beta Amyloids May Be Responsible for Accelerated Aggregation via Polymorphic States
  2. Miller, Y.; Ma, B. Y.; Nussinov, R.
  3. Biochemistry. 2011, Jun; 50(23): 5172-5181.
  1. 20.   The Role of Response Elements Organization in Transcription Factor Selectivity: The IFN-beta Enhanceosome Example
  2. Pan, Y. P.; Nussinov, R.
  3. Plos Computational Biology. 2011, Jun; 7(6): 14.
  1. 21.   Solvent-Induced Shifts in Electronic Spectra of Uracil
  2. DeFusco, A.; Ivanic, J.; Schmidt, M. W.; Gordon, M. S.
  3. Journal of Physical Chemistry A. 2011, May; 115(18): 4574-4582.
  1. 22.   Symmetry-Based Self-assembled Nanotubes Constructed Using Native Protein Structures: The Key Role of Flexible Linkers
  2. Buch, I.; Tsai, C. J.; Wolfson, H. J.; Nussinov, R.
  3. Protein and Peptide Letters. 2011, Apr; 18(4): 362-372.
  1. 23.   The Unique Alzheimer's beta-Amyloid Triangular Fibril Has a Cavity along the Fibril Axis under Physiological Conditions
  2. Miller, Y.; Ma, B. Y.; Nussinov, R.
  3. Journal of the American Chemical Society. 2011, Mar; 133(8): 2742-2748.
  1. 24.   Alternative Allosteric Mechanisms Can Regulate the Substrate and E2 in SUMO Conjugation
  2. Karaca, E.; Tozluoglu, M.; Nussinov, R.; Haliloglu, T.
  3. Journal of Molecular Biology. 2011, Mar; 406(4): 620-630.
  1. 25.   Clarification of the Mechanism of Acylation Reaction and Origin of Substrate Specificity of the Serine-Carboxyl Peptidase Sedolisin through QM/MM Free Energy Simulations
  2. Xu, Q.; Yao, J. Z.; Wlodawer, A.; Guo, H.
  3. Journal of Physical Chemistry B. 2011, Mar; 115(10): 2470-2476.
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