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  1. 1.   Inhibition of Plasmodium falciparum plasmepsins by drugs targeting HIV-1 protease: A way forward for antimalarial drug discovery
  2. Mishra, Vandana; Deshmukh, Anuradha; Rathore, Ishan; Chakraborty, Satadru; Patankar, Swati; Gustchina,Alla; Wlodawer,Alexander; Yada, Rickey Y; Bhaumik, Prasenjit
  3. Current Research in Structural Biology. 2024, Jan 17; 7: 100128.
  1. 2.   Exploration of Ultralarge Compound Collections for Drug Discovery
  2. Warr, Wendy A; Nicklaus,Marc; Nicolaou, Christos A; Rarey, Matthias
  3. Journal of Chemical Information and Modeling. 2022, Apr 14;
  1. 3.   Celebrating the 75th birthday of Professor Wladek Minor, one of the most accomplished Polish-American structural biologists
  2. Jaskolski, Mariusz; Wlodawer,Alexander; Dauter, Zbigniew; Shabalin, Ivan; Chruszcz, Maksymilian
  3. Acta Biochimica Polonica. 2021, Jan 21; 68(1): 1-4.
  1. 4.   Manipulation of a spider peptide toxin alters its affinity for lipid bilayers and potency and selectivity for voltage-gated sodium channel subtype 1.7
  2. Agwa, Akello J.; Tran, Poanna; Mueller, Alexander; Tran, Hue N. T.; Deuis, Jennifer R.; Israel, Mathilde R.; McMahon, Kirsten L.; Craik, David J.; Vetter, Irina; Schroeder,Christina
  3. JOURNAL OF BIOLOGICAL CHEMISTRY. 2020, Apr 10; 295(15): 5067-5080.
  1. 5.   High-resolution crystal structures of the D1 and D2 domains of protein tyrosine phosphatase epsilon for structure-based drug design
  2. Lountos, George; Raran-Kurussi, Sreejith; Zhao, Bryan M; Dyas, Beverly K; Burke, Terrence; Ulrich, Robert G; Waugh, David
  3. Acta crystallographica. Section D, Structural biology. 2018, Oct 01; 74(Pt 10): 1015-1026.
  1. 6.   A close look onto structural models and primary ligands of metallo-beta-plactamases
  2. Raczynska, Joanna E.; Shabalin, Ivan G.; Minor, Wladek; Wlodawer,Alexander; Jaskolski, Mariusz
  3. Drug resistance updates : reviews and commentaries in antimicrobial and anticancer chemotherapy. 2018, Sep; 40: 1-12.
  1. 7.   Computational Tools for Allosteric Drug Discovery: Site Identification and Focus Library Design.
  2. Huang, Wenkang; Nussinov, Ruth; Zhang, Jian
  3. Methods in molecular biology (Clifton, N.J.). 2017 1529: 439-446.
  1. 8.   Design, synthesis, and biological evaluation of water-soluble amino acid prodrug conjugates derived from combretastatin, dihydronaphthalene, and benzosuberene-based parent vascular disrupting agents
  2. Devkota, L.; Lin, C. M.; Strecker, T. E.; Wang, Y.; Tidmore, J. K.; Chen, Z.; Guddneppanavar, R.; Jelinek, C. J.; Lopez, R.; Liu, L.; Hamel, E.; Mason, R. P.; Chaplin, D. J.; Trawick, M. L.; Pinney, K. G.
  3. Bioorganic & Medicinal Chemistry. 2016, 1-Mar; 24(5): 938-56.
  1. 9.   Allosteric modulators can restore function in an amino acid neurotransmitter receptor by slightly altering intra-molecular communication pathways
  2. Nussinov, R.
  3. British Journal of Pharmacology. 2012, Apr; 165(7): 2110-2112.
  1. 10.   PDB Ligand Conformational Energies Calculated Quantum-Mechanically
  2. Sitzmann, M.; Weidlich, I. E.; Filippov, I. V.; Liao, C.; Peach, M. L.; Ihlenfeldt, W. D.; Karki, R. G.; Borodina, Y. V.; Cachau, R. E.; Nicklaus, M. C.
  3. Journal of Chemical Information and Modeling. 2012, Mar; 52(3): 739-756.
  1. 11.   Structural characterization of inhibitor complexes with checkpoint kinase 2 (Chk2), a drug target for cancer therapy
  2. Lountos, G. T.; Jobson, A. G.; Tropea, J. E.; Self, C. R.; Zhang, G. T.; Pommier, Y.; Shoemaker, R. H.; Waugh, D. S.
  3. Journal of Structural Biology. 2011, Dec; 176(3): 292-301.
  1. 12.   An NMR strategy for fragment-based ligand screening utilizing a paramagnetic lanthanide probe
  2. Saio, T.; Ogura, K.; Shimizu, K.; Yokochi, M.; Burke, T. R.; Inagaki, F.
  3. Journal of Biomolecular Nmr. 2011, Nov; 51(3): 395-408.
  1. 13.   X-ray structures of checkpoint kinase 2 in complex with inhibitors that target its gatekeeper-dependent hydrophobic pocket
  2. Lountos, G. T.; Jobson, A. G.; Tropea, J. E.; Self, C. R.; Zhang, G. T.; Pommier, Y.; Shoemaker, R. H.; Waugh, D. S.
  3. Febs Letters. 2011, Oct; 585(20): 3245-3249.
  1. 14.   Crystal structure of XMRV protease differs from the structures of other retropepsins
  2. Li, M.; DiMaio, F.; Zhou, D. W.; Gustchina, A.; Lubkowski, J.; Dauter, Z.; Baker, D.; Wlodawer, A.
  3. Nature Structural & Molecular Biology. 2011, Feb; 18(2): 227-229.
  1. 15.   Conformational ensembles, signal transduction and residue hot spots: Application to drug discovery
  2. Ozbabacan, S. E. A.; Gursoy, A.; Keskin, O.; Nussinov, R.
  3. Current Opinion in Drug Discovery & Development. 2010, Sep; 13(5): 527-537.
  1. 16.   Crystal Structures of Inhibitor Complexes of Human T-Cell Leukemia Virus (HTLV-1) Protease
  2. Satoh, T.; Li, M.; Nguyen, J. T.; Kiso, Y.; Gustchina, A.; Wlodawer, A.
  3. Journal of Molecular Biology. 2010, Aug; 401(4): 626-641.
  1. 17.   Tautomerism and Magnesium Chelation of HIV-1 Integrase Inhibitors: A Theoretical Study
  2. Liao, C. Z.; Nicklaus, M. C.
  3. Chemmedchem. 2010, Jul 5; 5(7): 1053-1066.
  1. 18.   Symmetrical alpha-bromoacryloylamido diaryldienone derivatives as a novel series of antiproliferative agents. Design, synthesis and biological evaluation
  2. Romagnoli, R.; Baraldi, P. G.; Cruz-Lopez, O.; Cara, C. L.; Carrion, M. D.; Balzarini, J.; Hamel, E.; Basso, G.; Bortolozzi, R.; Viola, G.
  3. Bioorganic & Medicinal Chemistry Letters. 2010, May; 20(9): 2733-2739.
  1. 19.   Structural studies of series HIV-1 nonnucleoside reverse transcriptase inhibitors 1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-benzimidazoles with different 4-substituents
  2. Ziolkowska, N. E.; Michejda, C. J.; Bujacz, G. D.
  3. Journal of Molecular Structure. 2010, Mar; 966(1-3): 53-58.
  1. 20.   Inhibitors of human tyrosyl-DNA phospodiesterase (hTdp1) developed by virtual screening using ligand-based pharmacophores
  2. Weidlich, I. E.; Dexheimer, T.; March, C.; Antony, S.; Pommier, Y.; Nicklaus, M. C.
  3. Bioorganic & Medicinal Chemistry. 2010, Jan; 18(1): 182-189.
  1. 21.   Structure of HIV-1 nonnucleoside reverse transcriptase inhibitors derivatives of N-benzyl-benzimidazole with different substituents in position 4
  2. Ziolkowska, N. E.; Michejda, C. J.; Bujacz, G. D.
  3. Journal of Molecular Structure. 2010, Jan; 963(2-3): 188-193.
  1. 22.   Microbial antitumor drugs: natural products of microbial origin as anticancer agents
  2. Newman, D. J.; Cragg, G. M.
  3. Current Opinion in Investigational Drugs. 2009, Dec; 10(12): 1280-96.
  1. 23.   Novel Approach for Efficient Pharmacophore-Based Virtual Screening: Method and Applications
  2. Dror, O.; Schneidman-Duhovny, D.; Inbar, Y.; Nussinov, R.; Wolfson, H. J.
  3. Journal of Chemical Information and Modeling. 2009 49(10): 2333-2343.
  1. 24.   Crystal structures of HIV-1 nonnucleoside reverse transcriptase inhibitors: N-benzyl-4-methyl-benzimidazoles
  2. Ziolkowska, N. E.; Michejda, C. J.; Bujacz, G. D.
  3. Journal of Molecular Structure. 2009 930(1-3): 157-161.
  1. 25.   Structural investigation of HIV-1 nonnucleoside reverse transcriptase inhibitors: 2-Aryl-substituted benzimidazoles
  2. Ziolkowska, N. E.; Michejda, C. J.; Bujacz, G. D.
  3. Journal of Molecular Structure. 2009 937(1-3): 34-38.
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