Drug Resistance Conferred by Mutations Outside the Active Site through Alterations in the Dynamic and Structural Ensemble of HIV‑1 Protease von 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

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Hydrophobic Core Flexibility Modulates Enzyme Activity in HIV-1 Protease von Mittal, Seema, Cai, Yufeng, Nalam, Madhavi N. L, Bolon, Daniel N. A, Schiffer, Celia A

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Evaluating the Substrate-Envelope Hypothesis: Structural Analysis of Novel HIV-1 Protease Inhibitors Designed To Be Robust against Drug Resistance von 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

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Extreme Entropy–Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease von 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

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HIV-1 Protease Inhibitors from Inverse Design in the Substrate Envelope Exhibit Subnanomolar Binding to Drug-Resistant Variants von 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

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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 Curr... von 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

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Crystal Structure of Lysine Sulfonamide Inhibitor Reveals the Displacement of the Conserved Flap Water Molecule in Human Immunodeficiency Virus Type 1 Protease von NALAM, Madhavi N. L, PEETERS, Anik, JONCKERS, Tim H. M, DIERYNCK, Inge, SCHILFER, Celia A

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Specificity of Translation for N-Alkyl Amino Acids von Zhang, Baolin, Tan, Zhongping, Dickson, Lucas Gartenmann, Nalam, Madhavi N. L, Cornish, Virginia W, Forster, Anthony C

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Design and Synthesis of HIV-1 Protease Inhibitors Incorporating Oxazolidinones as P2/P2‘ Ligands in Pseudosymmetric Dipeptide Isosteres von 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

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Design, Synthesis, and Biological and Structural Evaluations of Novel HIV-1 Protease Inhibitors To Combat Drug Resistance von Parai, Maloy Kumar, Huggins, David J, Cao, Hong, Nalam, Madhavi N. L, Ali, Akbar, Schiffer, Celia A, Tidor, Bruce, Rana, Tariq M

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Structure-Based Design, Synthesis, and Structure−Activity Relationship Studies of HIV-1 Protease Inhibitors Incorporating Phenyloxazolidinones von Ali, Akbar, Reddy, G. S. Kiran Kumar, Nalam, Madhavi N. L, Anjum, Saima Ghafoor, Cao, Hong, Schiffer, Celia A, Rana, Tariq M

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Testing the Substrate-Envelope Hypothesis with Designed Pairs of Compounds von Shen, Yang, Altman, Michael D, Ali, Akbar, Nalam, Madhavi N. L, Cao, Hong, Rana, Tariq M, Schiffer, Celia A, Tidor, Bruce

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Molecular Basis for Drug Resistance in HIV-1 Protease von 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

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Discovery of HIV-1 Protease Inhibitors with Picomolar Affinities Incorporating N-Aryl-oxazolidinone-5-carboxamides as Novel P2 Ligands von Ali, Akbar, Reddy, G. S. Kiran Kumar, Cao, Hong, Anjum, Saima Ghafoor, Nalam, Madhavi N. L, Schiffer, Celia A, Rana, Tariq M

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Efficient Computation of Small-Molecule Configurational Binding Entropy and Free Energy Changes by Ensemble Enumeration von 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

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Structural and Thermodynamic Basis of Amprenavir/Darunavir and Atazanavir Resistance in HIV-1 Protease with Mutations at Residue 50 von Seema Mittal, Rajinthna M. Bandaranayake, Nancy M. King, Moses Prabu-Jeyabalan, Madhavi N. L. Nalam, Ellen A. Nalivaika, Nese Kurt Yilmaz, Celia A. Schiffer

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Programming Peptidomimetic Syntheses by Translating Genetic Codes Designed de novo von Forster, Anthony C., Tan, Zhongping, Madhavi N. L. Nalam, Lin, Hening, Qu, Hui, Cornish, Virginia W., Blacklow, Stephen C.

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Crystal Structure of the APOBEC3G Catalytic Domain Reveals Potential Oligomerization Interfaces von 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.

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Design of Mutation-resistant HIV Protease Inhibitors with the Substrate Envelope Hypothesis von 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.

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Substrate Envelope-Designed Potent HIV-1 Protease Inhibitors to Avoid Drug Resistance von Nalam, Madhavi N.L., Ali, Akbar, Reddy, G.S. Kiran Kumar, Cao, Hong, Anjum, Saima G., Altman, Michael D., Yilmaz, Nese Kurt, Tidor, Bruce, Rana, Tariq M., Schiffer, Celia A.

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