Autor der Publikation

Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach.

, , , , , , , , , und . J. Chem. Inf. Model., 57 (12): 2996-3010 (Dezember 2017)

Bitte wählen Sie eine Person um die Publikation zuzuordnen

Um zwischen Personen mit demselben Namen zu unterscheiden, wird der akademische Grad und der Titel einer wichtigen Publikation angezeigt. Zudem lassen sich über den Button neben dem Namen einige der Person bereits zugeordnete Publikationen anzeigen.

 

Weitere Publikationen von Autoren mit dem selben Namen

Fragment Molecular Orbital Based Interaction Analyses on COVID-19 Main Protease - Inhibitor N3 Complex (PDB ID: 6LU7)., , , , , , , und . J. Chem. Inf. Model., 60 (7): 3593-3602 (2020)Water-mediated interactions in the CRP-cAMP-DNA complex: Does water mediate sequence-specific binding at the DNA primary-kink site?, , , , , und . Comput. Biol. Chem., 32 (3): 149-158 (2008)Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach., , , , , , , , , und . J. Chem. Inf. Model., 57 (12): 2996-3010 (Dezember 2017)Development of an Analysis Toolkit, AnalysisFMO, to Visualize Interaction Energies Generated by Fragment Molecular Orbital Calculations., , , , , , , , , und 1 andere Autor(en). J. Chem. Inf. Model., 59 (1): 25-30 (2019)Special Features of COVID-19 in the FMODB: Fragment Molecular Orbital Calculations and Interaction Energy Analysis of SARS-CoV-2-Related Proteins., , , , , , , , , und 1 andere Autor(en). J. Chem. Inf. Model., 61 (9): 4594-4612 (2021)Protein-ligand binding affinity prediction of cyclin-dependent kinase-2 inhibitors by dynamically averaged fragment molecular orbital-based interaction energy., , , , , , , , , und 4 andere Autor(en). J. Comput. Chem., 43 (20): 1362-1371 (2022)VISCANA: Visualized Cluster Analysis of Protein-Ligand Interaction Based on the ab Initio Fragment Molecular Orbital Method for Virtual Ligand Screening., , , , , , , , und . J. Chem. Inf. Model., 46 (1): 221-230 (2006)Structural and Computational Analyses of the Unique Interactions of Opicapone in the Binding Pocket of Catechol O-Methyltransferase: A Crystallographic Study and Fragment Molecular Orbital Analyses., , , , , , , und . J. Chem. Inf. Model., 63 (14): 4468-4476 (Juli 2023)High-Precision Atomic Charge Prediction for Protein Systems Using Fragment Molecular Orbital Calculation and Machine Learning., , , , , , , , , und 7 andere Autor(en). J. Chem. Inf. Model., 60 (7): 3361-3368 (2020)Ab initio quantum mechanical study of the binding energies of human estrogen receptor with its ligands: An application of fragment molecular orbital method., , , , , und . J. Comput. Chem., 26 (1): 1-10 (2005)