Drug Resistance Conferred by Mutations Outside the Active Site through Alterations in the Dynamic and Structural Ensemble of HIV‑1 Protease
Ragland, Debra A, Nalivaika, Ellen A, Nalam, Madhavi N. L, Prachanronarong, Kristina L, Cao, Hong, Bandaranayake, Rajintha M, Cai, Yufeng, Kurt-Yilmaz, Nese, Schiffer, Celia A
Published in Journal of the American Chemical Society (27.08.2014)
Published in Journal of the American Chemical Society (27.08.2014)
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Journal Article
Evaluating the Substrate-Envelope Hypothesis: Structural Analysis of Novel HIV-1 Protease Inhibitors Designed To Be Robust against Drug Resistance
NALAM, Madhavi N. L, ALI, Akbar, RANA, Tariq M, SCHIFFER, Celia A, ALTMAN, Michael D, KIRAN KUMAR REDDY, G. S, CHELLAPPAN, Sripriya, KAIRYS, Visvaldas, ZEN, Ayşegül Ö, HONG CAO, GILSON, Michael K, TIDOR, Bruce
Published in Journal of Virology (01.05.2010)
Published in Journal of Virology (01.05.2010)
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Journal Article
Hydrophobic Core Flexibility Modulates Enzyme Activity in HIV-1 Protease
Mittal, Seema, Cai, Yufeng, Nalam, Madhavi N. L, Bolon, Daniel N. A, Schiffer, Celia A
Published in Journal of the American Chemical Society (07.03.2012)
Published in Journal of the American Chemical Society (07.03.2012)
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Journal Article
Extreme Entropy–Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease
King, Nancy M, Prabu-Jeyabalan, Moses, Bandaranayake, Rajintha M, Nalam, Madhavi N. L, Nalivaika, Ellen A, Özen, Ayşegül, Haliloǧlu, Türkan, Yılmaz, Neşe Kurt, Schiffer, Celia A
Published in ACS chemical biology (21.09.2012)
Published in ACS chemical biology (21.09.2012)
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Journal Article
TMC310911, a Novel Human Immunodeficiency Virus Type 1 Protease Inhibitor, Shows In Vitro an Improved Resistance Profile and Higher Genetic Barrier to Resistance Compared with Current Protease Inhibitors
DIERYNCK, Inge, VAN MARCK, Herwig, VAN GINDEREN, Marcia, JONCKERS, Tim H. M, NALAM, Madhavi N. L, SCHIFFER, Celia A, RAOOF, Araz, KRAUS, Guenter, PICCHIO, Gaston
Published in Antimicrobial Agents and Chemotherapy (01.12.2011)
Published in Antimicrobial Agents and Chemotherapy (01.12.2011)
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Journal Article
HIV-1 Protease Inhibitors from Inverse Design in the Substrate Envelope Exhibit Subnanomolar Binding to Drug-Resistant Variants
Altman, Michael D, Ali, Akbar, Kumar Reddy, G. S. Kiran, Nalam, Madhavi N. L, Anjum, Saima Ghafoor, Cao, Hong, Chellappan, Sripriya, Kairys, Visvaldas, Fernandes, Miguel X, Gilson, Michael K, Schiffer, Celia A, Rana, Tariq M, Tidor, Bruce
Published in Journal of the American Chemical Society (14.05.2008)
Published in Journal of the American Chemical Society (14.05.2008)
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Journal Article
Specificity of Translation for N-Alkyl Amino Acids
Zhang, Baolin, Tan, Zhongping, Dickson, Lucas Gartenmann, Nalam, Madhavi N. L, Cornish, Virginia W, Forster, Anthony C
Published in Journal of the American Chemical Society (19.09.2007)
Published in Journal of the American Chemical Society (19.09.2007)
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Journal Article
Design and Synthesis of HIV-1 Protease Inhibitors Incorporating Oxazolidinones as P2/P2‘ Ligands in Pseudosymmetric Dipeptide Isosteres
Reddy, G. S. Kiran Kumar, Ali, Akbar, Nalam, Madhavi N. L, Anjum, Saima Ghafoor, Cao, Hong, Nathans, Robin S, Schiffer, Celia A, Rana, Tariq M
Published in Journal of medicinal chemistry (06.09.2007)
Published in Journal of medicinal chemistry (06.09.2007)
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Journal Article
Crystal Structure of Lysine Sulfonamide Inhibitor Reveals the Displacement of the Conserved Flap Water Molecule in Human Immunodeficiency Virus Type 1 Protease
NALAM, Madhavi N. L, PEETERS, Anik, JONCKERS, Tim H. M, DIERYNCK, Inge, SCHILFER, Celia A
Published in Journal of Virology (01.09.2007)
Published in Journal of Virology (01.09.2007)
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Journal Article
Design, Synthesis, and Biological and Structural Evaluations of Novel HIV-1 Protease Inhibitors To Combat Drug Resistance
Parai, Maloy Kumar, Huggins, David J, Cao, Hong, Nalam, Madhavi N. L, Ali, Akbar, Schiffer, Celia A, Tidor, Bruce, Rana, Tariq M
Published in Journal of medicinal chemistry (26.07.2012)
Published in Journal of medicinal chemistry (26.07.2012)
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Journal Article
Structure-Based Design, Synthesis, and Structure−Activity Relationship Studies of HIV-1 Protease Inhibitors Incorporating Phenyloxazolidinones
Ali, Akbar, Reddy, G. S. Kiran Kumar, Nalam, Madhavi N. L, Anjum, Saima Ghafoor, Cao, Hong, Schiffer, Celia A, Rana, Tariq M
Published in Journal of medicinal chemistry (11.11.2010)
Published in Journal of medicinal chemistry (11.11.2010)
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Journal Article
Testing the Substrate-Envelope Hypothesis with Designed Pairs of Compounds
Shen, Yang, Altman, Michael D, Ali, Akbar, Nalam, Madhavi N. L, Cao, Hong, Rana, Tariq M, Schiffer, Celia A, Tidor, Bruce
Published in ACS chemical biology (15.11.2013)
Published in ACS chemical biology (15.11.2013)
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Journal Article
Discovery of HIV-1 Protease Inhibitors with Picomolar Affinities Incorporating N-Aryl-oxazolidinone-5-carboxamides as Novel P2 Ligands
Ali, Akbar, Reddy, G. S. Kiran Kumar, Cao, Hong, Anjum, Saima Ghafoor, Nalam, Madhavi N. L, Schiffer, Celia A, Rana, Tariq M
Published in Journal of medicinal chemistry (14.12.2006)
Published in Journal of medicinal chemistry (14.12.2006)
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Journal Article
Structural and Thermodynamic Basis of Amprenavir/Darunavir and Atazanavir Resistance in HIV-1 Protease with Mutations at Residue 50
Seema Mittal, Rajinthna M. Bandaranayake, Nancy M. King, Moses Prabu-Jeyabalan, Madhavi N. L. Nalam, Ellen A. Nalivaika, Nese Kurt Yilmaz, Celia A. Schiffer
Published in Journal of Virology (01.04.2013)
Published in Journal of Virology (01.04.2013)
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Journal Article
Efficient Computation of Small-Molecule Configurational Binding Entropy and Free Energy Changes by Ensemble Enumeration
Silver, Nathaniel W, King, Bracken M, Nalam, Madhavi N. L, Cao, Hong, Ali, Akbar, Kiran Kumar Reddy, G. S, Rana, Tariq M, Schiffer, Celia A, Tidor, Bruce
Published in Journal of chemical theory and computation (12.11.2013)
Published in Journal of chemical theory and computation (12.11.2013)
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Journal Article
Programming Peptidomimetic Syntheses by Translating Genetic Codes Designed de novo
Forster, Anthony C., Tan, Zhongping, Madhavi N. L. Nalam, Lin, Hening, Qu, Hui, Cornish, Virginia W., Blacklow, Stephen C.
Published in Proceedings of the National Academy of Sciences - PNAS (27.05.2003)
Published in Proceedings of the National Academy of Sciences - PNAS (27.05.2003)
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Journal Article
Molecular Basis for Drug Resistance in HIV-1 Protease
Ali, Akbar, Bandaranayake, Rajintha M, Cai, Yufeng, King, Nancy M, Kolli, Madhavi, Mittal, Seema, Murzycki, Jennifer F, Nalam, Madhavi N L, Nalivaika, Ellen A, Ozen, Ayşegül, Prabu-Jeyabalan, Moses M, Thayer, Kelly, Schiffer, Celia A
Published in Viruses (01.11.2010)
Published in Viruses (01.11.2010)
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Journal Article
Book Review
Design of Mutation-resistant HIV Protease Inhibitors with the Substrate Envelope Hypothesis
Chellappan, Sripriya, Kiran Kumar Reddy, G. S., Ali, Akbar, Nalam, Madhavi N. L., Anjum, Saima Ghafoor, Cao, Hong, Kairys, Visvaldas, Fernandes, Miguel X., Altman, Michael D., Tidor, Bruce, Rana, Tariq M., Schiffer, Celia A., Gilson, Michael K.
Published in Chemical biology & drug design (01.05.2007)
Published in Chemical biology & drug design (01.05.2007)
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Journal Article
Crystal Structure of the APOBEC3G Catalytic Domain Reveals Potential Oligomerization Interfaces
Shandilya, Shivender M.D., Nalam, Madhavi N.L., Nalivaika, Ellen A., Gross, Phillip J., Valesano, Johnathan C., Shindo, Keisuke, Li, Ming, Munson, Mary, Royer, William E., Harjes, Elena, Kono, Takahide, Matsuo, Hiroshi, Harris, Reuben S., Somasundaran, Mohan, Schiffer, Celia A.
Published in Structure (London) (13.01.2010)
Published in Structure (London) (13.01.2010)
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