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Schiffer, Celia

One or more keywords matched the following items that are connected to Schiffer, Celia

Item Type	Name
Academic Article	Curling of flap tips in HIV-1 protease as a mechanism for substrate entry and tolerance of drug resistance.
Academic Article	Replacement of the P1 amino acid of human immunodeficiency virus type 1 Gag processing sites can inhibit or enhance the rate of cleavage by the viral protease.
Academic Article	Cooperative fluctuations of unliganded and substrate-bound HIV-1 protease: a structure-based analysis on a variety of conformations from crystallography and molecular dynamics simulations.
Academic Article	Structural and thermodynamic basis for the binding of TMC114, a next-generation human immunodeficiency virus type 1 protease inhibitor.
Academic Article	Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor.
Academic Article	Design of HIV-1 protease inhibitors active on multidrug-resistant virus.
Academic Article	Co-evolution of nelfinavir-resistant HIV-1 protease and the p1-p6 substrate.
Academic Article	Substrate envelope and drug resistance: crystal structure of RO1 in complex with wild-type human immunodeficiency virus type 1 protease.
Academic Article	How does a symmetric dimer recognize an asymmetric substrate? A substrate complex of HIV-1 protease.
Academic Article	Evaluation of the substrate envelope hypothesis for inhibitors of HIV-1 protease.
Academic Article	Design of mutation-resistant HIV protease inhibitors with the substrate envelope hypothesis.
Academic Article	Design and synthesis of HIV-1 protease inhibitors incorporating oxazolidinones as P2/P2' ligands in pseudosymmetric dipeptide isosteres.
Academic Article	Viral protease inhibitors.
Academic Article	Additivity in the analysis and design of HIV protease inhibitors.
Academic Article	Toward the design of mutation-resistant enzyme inhibitors: further evaluation of the substrate envelope hypothesis.
Academic Article	Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease.
Academic Article	The effect of clade-specific sequence polymorphisms on HIV-1 protease activity and inhibitor resistance pathways.
Academic Article	Structure-based design, synthesis, and structure-activity relationship studies of HIV-1 protease inhibitors incorporating phenyloxazolidinones.
Academic Article	Dynamics of preferential substrate recognition in HIV-1 protease: redefining the substrate envelope.
Academic Article	Substrate shape determines specificity of recognition for HIV-1 protease: analysis of crystal structures of six substrate complexes.
Academic Article	Context surrounding processing sites is crucial in determining cleavage rate of a subset of processing sites in HIV-1 Gag and Gag-Pro-Pol polyprotein precursors by viral protease.
Academic Article	Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance.
Academic Article	Extreme entropy-enthalpy compensation in a drug-resistant variant of HIV-1 protease.
Academic Article	Viability of a drug-resistant human immunodeficiency virus type 1 protease variant: structural insights for better antiviral therapy.
Academic Article	Cooperative effects of drug-resistance mutations in the flap region of HIV-1 protease.
Academic Article	Mutation patterns and structural correlates in human immunodeficiency virus type 1 protease following different protease inhibitor treatments.
Academic Article	Structure-based prediction of potential binding and nonbinding peptides to HIV-1 protease.
Academic Article	Covariation of amino acid positions in HIV-1 protease.
Academic Article	Combating susceptibility to drug resistance: lessons from HIV-1 protease.
Academic Article	Structural basis for coevolution of a human immunodeficiency virus type 1 nucleocapsid-p1 cleavage site with a V82A drug-resistant mutation in viral protease.
Academic Article	Association of a novel human immunodeficiency virus type 1 protease substrate cleft mutation, L23I, with protease inhibitor therapy and in vitro drug resistance.
Academic Article	Mechanism of substrate recognition by drug-resistant human immunodeficiency virus type 1 protease variants revealed by a novel structural intermediate.
Academic Article	Substrate specificity in HIV-1 protease by a biased sequence search method.
Academic Article	Role of invariant Thr80 in human immunodeficiency virus type 1 protease structure, function, and viral infectivity.
Academic Article	Discovery of HIV-1 protease inhibitors with picomolar affinities incorporating N-aryl-oxazolidinone-5-carboxamides as novel P2 ligands.
Academic Article	N88D facilitates the co-occurrence of D30N and L90M and the development of multidrug resistance in HIV type 1 protease following nelfinavir treatment failure.
Academic Article	Hydrophobic sliding: a possible mechanism for drug resistance in human immunodeficiency virus type 1 protease.
Academic Article	Crystal structure of lysine sulfonamide inhibitor reveals the displacement of the conserved flap water molecule in human immunodeficiency virus type 1 protease.
Academic Article	Computational design and experimental study of tighter binding peptides to an inactivated mutant of HIV-1 protease.
Academic Article	HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
Academic Article	Structural analysis of human immunodeficiency virus type 1 CRF01_AE protease in complex with the substrate p1-p6.
Academic Article	Resilience to resistance of HIV-1 protease inhibitors: profile of darunavir.
Academic Article	New approaches to HIV protease inhibitor drug design II: testing the substrate envelope hypothesis to avoid drug resistance and discover robust inhibitors.
Academic Article	Human immunodeficiency virus type 1 protease-correlated cleavage site mutations enhance inhibitor resistance.
Academic Article	Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance.
Academic Article	Rationale for more diverse inhibitors in competition with substrates in HIV-1 protease.
Academic 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.
Academic Article	Decomposing the energetic impact of drug-resistant mutations: the example of HIV-1 protease-DRV binding.
Academic Article	Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
Academic Article	Collinearity of protease mutations in HIV-1 samples with high-level protease inhibitor class resistance.
Academic Article	Structural and thermodynamic basis of amprenavir/darunavir and atazanavir resistance in HIV-1 protease with mutations at residue 50.
Academic Article	Interview with Celia Schiffer.
Concept	HIV Protease
Concept	HIV Protease Inhibitors
Academic Article	A sensitive assay using a native protein substrate for screening HIV-1 maturation inhibitors targeting the protease cleavage site between the matrix and capsid.
Academic Article	Testing the substrate-envelope hypothesis with designed pairs of compounds.
Academic Article	Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Academic Article	HIV-1 protease-substrate coevolution in nelfinavir resistance.
Academic Article	Drug resistance conferred by mutations outside the active site through alterations in the dynamic and structural ensemble of HIV-1 protease.
Academic Article	Structural basis and distal effects of Gag substrate coevolution in drug resistance to HIV-1 protease.
Academic Article	Development of a Novel Screening Strategy Designed to Discover a New Class of HIV Drugs.
Academic Article	A Direct Interaction with RNA Dramatically Enhances the Catalytic Activity of the HIV-1 Protease In Vitro.
Academic Article	Modulation of HIV protease flexibility by the T80N mutation.
Academic Article	Improving Viral Protease Inhibitors to Counter Drug Resistance.
Academic Article	Interdependence of Inhibitor Recognition in HIV-1 Protease.
Academic Article	Elucidating the Interdependence of Drug Resistance from Combinations of Mutations.
Academic Article	Hydration Structure and Dynamics of Inhibitor-Bound HIV-1 Protease.
Academic Article	Probing Structural Changes among Analogous Inhibitor-Bound Forms of HIV-1 Protease and a Drug-Resistant Mutant in Solution by Nuclear Magnetic Resonance.
Academic Article	HIV-1 Protease Uses Bi-Specific S2/S2' Subsites to Optimize Cleavage of Two Classes of Target Sites.
Academic Article	Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
Academic Article	Constrained Mutational Sampling of Amino Acids in HIV-1 Protease Evolution.
Academic Article	NMR and MD studies combined to elucidate inhibitor and water interactions of HIV-1 protease and their modulations with resistance mutations.
Academic Article	Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Academic Article	Target-Specific Prediction of Ligand Affinity with Structure-Based Interaction Fingerprints.
Academic Article	HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
Academic Article	Molecular Determinants of Epistasis in HIV-1 Protease: Elucidating the Interdependence of L89V and L90M Mutations in Resistance.
Academic Article	Characterizing Protein-Ligand Binding Using Atomistic Simulation and Machine Learning: Application to Drug Resistance in HIV-1 Protease.
Academic Article	Optimizing the refinement of merohedrally twinned P61 HIV-1 protease-inhibitor cocrystal structures.
Academic Article	Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
Academic Article	Deciphering Complex Mechanisms of Resistance and Loss of Potency through Coupled Molecular Dynamics and Machine Learning.

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HIV Protease