In-silicoidentification of inhibitors against mutated BCR-ABL protein of chronic myeloid leukemia: a virtual screening and molecular dynamics simulation study

Investigation of ligand selectivity in CYP3A7 by molecular dynamics simulations

(2015) Jing-Rong Fan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Structural conversion of the transformer protein RfaH: new insights derived from protein structure prediction and molecular dynamics simulations

(2015) Nicole Balasco et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Molecular dynamics simulation studies of GSK-3β ATP competitive inhibitors: understanding the factors contributing to selectivity

(2015) Minhajul Arfeen et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Flavonoids as multi-target inhibitors for proteins associated with Ebola virus: in-silico discovery using virtual screening and molecular docking studies

(2015) Utkarsh Raj et al.   Interdisciplinary Sciences-Computational Life Sciences

Drug/nondrug classification using Support Vector Machines with various feature selection strategies

(2014) Selcuk Korkmaz et al.   COMPUTER METHODS AND PROGRAMS IN BIOMEDICINE

Novel Inhibitor Discovery through Virtual Screening against Multiple Protein Conformations Generated via Ligand-Directed Modeling: A Maternal Embryonic Leucine Zipper Kinase Example

(2012) Kiran V. Mahasenan et al.   Journal of Chemical Information and Modeling

Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036

(2011) Wayne W. Chan et al.   CANCER CELL

BCR-ABL SH3-SH2 domain mutations in chronic myeloid leukemia patients on imatinib

(2010) D. W. Sherbenou et al.   BLOOD

Nilotinib is effective in patients with chronic myeloid leukemia in chronic phase after imatinib resistance or intolerance: 24-month follow-up results

(2010) H. M. Kantarjian et al.   BLOOD

Probing theα-Helical Structural Stability of Stapled p53 Peptides: Molecular Dynamics Simulations and Analysis

(2010) Zuojun Guo et al.   Chemical Biology & Drug Design

Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field

(2010) Devleena Shivakumar et al.   Journal of Chemical Theory and Computation

Discovery of Novel Fibroblast Growth Factor Receptor 1 Kinase Inhibitors by Structure-Based Virtual Screening

(2010) Krishna P. Ravindranathan et al.   JOURNAL OF MEDICINAL CHEMISTRY

BCR-ABL tyrosine kinase inhibitors in the treatment of Philadelphia chromosome positive chronic myeloid leukemia: A review

(2010) Xin An et al.   LEUKEMIA RESEARCH

The interplay of structural information and functional studies in kinase drug design: insights from BCR-Abl

(2009) Michael J Eck et al.   CURRENT OPINION IN CELL BIOLOGY

Six-year follow-up of patients receiving imatinib for the first-line treatment of chronic myeloid leukemia

(2009) A Hochhaus et al.   LEUKEMIA

Mechanisms of resistance to tyrosine kinase inhibitors in chronic myeloid leukemia and recent therapeutic strategies to overcome resistance

(2009) D. Bixby et al.   Hematology-American Society of Hematology Education Program

Type-II Kinase Inhibitor Docking, Screening, and Profiling Using Modified Structures of Active Kinase States

(2008) Irina Kufareva et al.   JOURNAL OF MEDICINAL CHEMISTRY

Emerging roles of Abl family tyrosine kinases in microbial pathogenesis

(2008) Steffen Backert et al.   TRENDS IN BIOCHEMICAL SCIENCES