sameAs
Comparison of simple potential functions for simulating liquid waterExploiting Structural Analysis, in Silico Screening, and Serendipity To Identify Novel Inhibitors of Drug-Resistant Falciparum MalariaDiscovery of Novel Fibroblast Growth Factor Receptor 1 Kinase Inhibitors by Structure-Based Virtual ScreeningA remote arene-binding site on prostate specific membrane antigen revealed by antibody-recruiting small molecules.Small-Molecule Inhibitors of the Interaction between the E3 Ligase VHL and HIF1αCrystal Structures of HIV-1 Reverse Transcriptase with Picomolar Inhibitors Reveal Key Interactions for Drug DesignTargeting the von Hippel–Lindau E3 Ubiquitin Ligase Using Small Molecules To Disrupt the VHL/HIF-1α InteractionExtension into the entrance channel of HIV-1 reverse transcriptase—Crystallography and enhanced solubilityPicomolar Inhibitors of HIV Reverse Transcriptase Featuring Bicyclic Replacement of a Cyanovinylphenyl GroupStructure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting HIV-1 Reverse TranscriptaseA mechanistic and structural investigation of modified derivatives of the diaryltriazine class of NNRTIs targeting HIV-1 reverse transcriptaseIrregularities in enzyme assays: The case of macrophage migration inhibitory factorPrediction of Binding Affinities for TIBO Inhibitors of HIV-1 Reverse Transcriptase Using Monte Carlo Simulations in a Linear Response MethodA Fluorescence Polarization Assay for Binding to Macrophage Migration Inhibitory Factor and Crystal Structures for Complexes of Two Potent InhibitorsA five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functionsPrediction of the water content in protein binding sitesPrediction of drug solubility from structure.Polypeptide folding using Monte Carlo sampling, concerted rotation, and continuum solvation.From docking false-positive to active anti-HIV agent.Search for non-nucleoside inhibitors of HIV-1 reverse transcriptase using chemical similarity, molecular docking, and MM-GB/SA scoringDiscovery of wild-type and Y181C mutant non-nucleoside HIV-1 reverse transcriptase inhibitors using virtual screening with multiple protein structures.Quantum mechanical/molecular mechanical modeling finds Diels-Alder reactions are accelerated less on the surface of water than in water.Potential energy functions for atomic-level simulations of water and organic and biomolecular systemsRelationship between side chain structure and 14-helix stability of beta3-peptides in waterAdvances in quantum and molecular mechanical (QM/MM) simulations for organic and enzymatic reactions.Eastern extension of azoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase; cyano group alternatives.Evaluation of CM5 Charges for Condensed-Phase Modeling.Thorpe-Ingold acceleration of oxirane formation is mostly a solvent effect.Vancomycin analogs: Seeking improved binding of d-Ala-d-Ala and d-Ala-d-Lac peptides by side-chain and backbone modifications.Energetic effects for observed and unobserved HIV-1 reverse transcriptase mutations of residues L100, V106, and Y181 in the presence of nevirapine and efavirenz.Exploring solvent effects upon the Menshutkin reaction using a polarizable force field.Biochemical assays for the discovery of TDP1 inhibitorsOptimization of N-benzyl-benzoxazol-2-ones as receptor antagonists of macrophage migration inhibitory factor (MIF)E/Z Energetics for Molecular Modeling and DesignThe many roles of computation in drug discovery.Synthesis and evaluation of selected key methyl ether derivatives of vancomycin aglycon.Receptor agonists of macrophage migration inhibitory factor.Why urea eliminates ammonia rather than hydrolyzes in aqueous solution.Polarization Effects for Hydrogen-Bonded Complexes of Substituted Phenols with Water and Chloride IonMolecular modeling of organic and biomolecular systems using BOSS and MCPRO.
P50
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P50
description
Amerikaans scheikundige
@nl
US-american chemist
@en
US-amerikanischer Chemiker
@de
amerikansk kemiker
@da
amerikansk kemist
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amerikansk kjemikar
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amerikansk kjemiker
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chimiste américain
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químicu estauxunidense
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հետազոտող
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name
William L. Jorgensen
@ast
William L. Jorgensen
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William L. Jorgensen
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William L. Jorgensen
@da
William L. Jorgensen
@de
William L. Jorgensen
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William L. Jorgensen
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William L. Jorgensen
@en-gb
William L. Jorgensen
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William L. Jorgensen
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type
label
William L. Jorgensen
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William L. Jorgensen
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William L. Jorgensen
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William L. Jorgensen
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William L. Jorgensen
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William L. Jorgensen
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William L. Jorgensen
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William L. Jorgensen
@en-gb
William L. Jorgensen
@es
William L. Jorgensen
@fr
altLabel
William L Jorgensen
@ast
William L Jorgensen
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William L Jorgensen
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William L Jorgensen
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William L Jorgensen
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prefLabel
William L. Jorgensen
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William L. Jorgensen
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William L. Jorgensen
@ca
William L. Jorgensen
@da
William L. Jorgensen
@de
William L. Jorgensen
@en
William L. Jorgensen
@en-ca
William L. Jorgensen
@en-gb
William L. Jorgensen
@es
William L. Jorgensen
@fr
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P1006
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