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Integrating Ligand-Based and Protein-Centric Virtual Screening of Kinase Inhibitors Using Ensembles of Multiple Protein Kinase Genes and Conformations., und . Journal of Chemical Information and Modeling, 52 (10): 2501-2515 (2012)Docking Conformationally Flexible Small Molecules into a Protein Binding Site through Evolutionary Programming., , , , , und . Evolutionary Programming, Seite 615-627. A Bradford Book, MIT Press. Cambridge, Massachusetts., (1995)AlphaFold2-Enabled Atomistic Modeling of Structure, Conformational Ensembles, and Binding Energetics of the SARS-CoV-2 Omicron BA.2.86 Spike Protein with ACE2 Host Receptor and Antibodies: Compensatory Functional Effects of Binding Hotspots in Modulating Mechanisms of Receptor Binding and Immune Escape., , , , , und . J. Chem. Inf. Model., 64 (5): 1657-1681 (März 2024)Computational Proteomics of Biomolecular Interactions in Sequence and Structure Space of the Tyrosine Kinome: Evolutionary Constraints and Protein Conformational Selection Determine Binding Signatures of Cancer Drugs.. WILF, Volume 4578 von Lecture Notes in Computer Science, Seite 604-611. Springer, (2007)Coarse-Grained Modeling of the HIV-1 Protease Binding Mechanisms: I. Targeting Structural Flexibility of the Protease Flaps and Implications for Drug Design.. CIBB, Volume 5488 von Lecture Notes in Computer Science, Seite 1-12. Springer, (2008)Thermodynamics and Kinetics of Ligand-Protein Binding Studied with the Weighted Histogram Analysis Method and Simulated Annealing., , , , , , , , , und . Pacific Symposium on Biocomputing, Seite 426-437. (1999)Coarse-Grained Modeling of the HIV-1 Protease Binding Mechanisms: II. Folding Inhibition.. CIBB, Volume 5488 von Lecture Notes in Computer Science, Seite 13-24. Springer, (2008)MOIL: A program for simulations of macromolecules, , , , , , , , und . Computer Physics Communications, 91 (1): 159 - 189 (1995)Structure-Functional Prediction and Analysis of Cancer Mutation Effects in Protein Kinases., und . Comput. Math. Methods Medicine, (2014)Molecular Dynamics Simulations and Structural Network Analysis of c-Abl and c-Src Kinase Core Proteins: Capturing Allosteric Mechanisms and Communication Pathways from Residue Centrality., und . Journal of Chemical Information and Modeling, 55 (8): 1645-1662 (2015)