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The free energy landscape of small molecule unbindingDiscovery of a Non-Peptidic Inhibitor of West Nile Virus NS3 Protease by High-Throughput DockingActivation of the West Nile virus NS3 protease: Molecular dynamics evidence for a conformational selection mechanismIn silicoidentification and crystal structure validation of caspase-3 inhibitors without a P1 aspartic acid moietyKinetic response of a photoperturbed allosteric proteinOptimization of inhibitors of the tyrosine kinase EphB4. 2. Cellular potency improvement and binding mode validation by X-ray crystallographyDiscovery of a Novel Chemotype of Tyrosine Kinase Inhibitors by Fragment-Based Docking and Molecular DynamicsA novel allosteric mechanism in the cysteine peptidase cathepsin K discovered by computational methodsDiscovery of BRD4 bromodomain inhibitors by fragment-based high-throughput dockingSpontaneous self-assembly of engineered armadillo repeat protein fragments into a folded structurePyrrolo[3,2-b]quinoxaline derivatives as types I1/2 and II Eph tyrosine kinase inhibitors: structure-based design, synthesis, and in vivo validationDiscovery of CREBBP Bromodomain Inhibitors by High-Throughput Docking and Hit Optimization Guided by Molecular DynamicsHigh-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray CrystallographyThe "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to BromodomainsTwenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare InteractionsComputationally Designed Armadillo Repeat Proteins for Modular Peptide RecognitionDerivatives of 3-amino-2-methylpyridine as BAZ2B Bromodomain Ligands: in silico Discovery and in crystallo ValidationEvaluation of a fast implicit solvent model for molecular dynamics simulations
P50
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P50
description
hulumtues
@sq
researcher
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հետազոտող
@hy
name
Amedeo Caflisch
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Amedeo Caflisch
@en
Amedeo Caflisch
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Amedeo Caflisch
@nl
Amedeo Caflisch
@sl
type
label
Amedeo Caflisch
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Amedeo Caflisch
@en
Amedeo Caflisch
@es
Amedeo Caflisch
@nl
Amedeo Caflisch
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prefLabel
Amedeo Caflisch
@ast
Amedeo Caflisch
@en
Amedeo Caflisch
@es
Amedeo Caflisch
@nl
Amedeo Caflisch
@sl