4.6 Article

Molecular description of pyrimidine-based inhibitors with activity against FAK combining 3D-QSAR analysis, molecular docking and molecular dynamics

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Editorial Material Oncology

BI 853520, a FAK-Simile of Prior FAK Inhibitors?

Rachael Chang Lee et al.

TARGETED ONCOLOGY (2019)

Article Biochemistry & Molecular Biology

Exhaustive CoMFA and CoMSIA analyses around different chemical entities: a ligand-based study exploring the affinity and selectivity profiles of 5-HT1A ligands

Sara Guariento et al.

JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY (2017)

Article Biochemistry & Molecular Biology

FAK dimerization controls its kinase-dependent functions at focal adhesions

Karen Brami-Cherrier et al.

EMBO JOURNAL (2014)

Article Chemistry, Physical

MMPBSA.py: An Efficient Program for End-State Free Energy Calculations

Bill R. Miller et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)

Article Biochemistry & Molecular Biology

Arginine in Membranes: The Connection Between Molecular Dynamics Simulations and Translocon-Mediated Insertion Experiments

Eric V. Schow et al.

JOURNAL OF MEMBRANE BIOLOGY (2011)

Article Chemistry, Medicinal

Docking and 3D-QSAR studies of 7-hydroxycoumarin derivatives as CK2 inhibitors

Na Zhang et al.

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2010)

Article Chemistry, Medicinal

CoMFA and CoMSIA studies on HIV-1 attachment inhibitors

Peng Lu et al.

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2010)

Article Cell Biology

Cellular functions of FAK kinases: insight into molecular mechanisms and novel functions

Michael D. Schaller

JOURNAL OF CELL SCIENCE (2010)

Article Biochemical Research Methods

A Kinetic Model of Trp-Cage Folding from Multiple Biased Molecular Dynamics Simulations

Fabrizio Marinelli et al.

PLOS COMPUTATIONAL BIOLOGY (2009)

Article Biochemistry & Molecular Biology

Focal Adhesion Kinase Versus p53: Apoptosis or Survival?

William G. Cance et al.

SCIENCE SIGNALING (2008)

Article Multidisciplinary Sciences

Mammary epithelial-specific disruption of the focal adhesion kinase blocks mammary tumor progression

Hicham Lahlou et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)

Article Biochemical Research Methods

Automatic atom type and bond type perception in molecular mechanical calculations

Junmei Wang et al.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2006)

Article Biochemistry & Molecular Biology

Crystal structure of the FERM domain of focal adhesion kinase

DFJ Ceccarelli et al.

JOURNAL OF BIOLOGICAL CHEMISTRY (2006)

Article Biochemical Research Methods

Computational analysis and prediction of the binding motif and protein interacting partners of the Abl SH3 domain

Tingjun Hou et al.

PLOS COMPUTATIONAL BIOLOGY (2006)

Review Cell Biology

Focal adhesion kinase: In command and control of cell motility

SK Mitra et al.

NATURE REVIEWS MOLECULAR CELL BIOLOGY (2005)

Article Chemistry, Multidisciplinary

Development and testing of a general amber force field

JM Wang et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)

Article Agriculture, Multidisciplinary

Synthesis, fungicidal activity, and QSAR of pyridazinonethiadiazoles

XJ Zou et al.

JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY (2002)

Article Biochemical Research Methods

Beware of q(2)!

A Golbraikh et al.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2002)

Review Chemistry, Multidisciplinary

Calculating structures and free energies of complex molecules: Combining molecular mechanics and continuum models

PA Kollman et al.

ACCOUNTS OF CHEMICAL RESEARCH (2000)

Article Chemistry, Physical

Modification of the generalized Born model suitable for macromolecules

A Onufriev et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2000)

Article Cell Biology

FAK integrates growth-factor and integrin signals to promote cell migration

DJ Sieg et al.

NATURE CELL BIOLOGY (2000)