Published in PLoS One on August 07, 2012
A Novel Y319H Substitution in CYP51C Associated with Azole Resistance in Aspergillus flavus. Antimicrob Agents Chemother (2015) 0.81
Exploration of the binding mode between (-)-zampanolide and tubulin using docking and molecular dynamics simulation. J Mol Model (2014) 0.78
Insight into the structural stability of wild type and mutants of the tobacco etch virus protease with molecular dynamics simulations. J Mol Model (2013) 0.75
Scalable molecular dynamics with NAMD. J Comput Chem (2005) 59.49
WHAT IF: a molecular modeling and drug design program. J Mol Graph (1990) 24.35
AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility. J Comput Chem (2009) 23.19
Comparison of multiple Amber force fields and development of improved protein backbone parameters. Proteins (2006) 22.80
Microtubules as a target for anticancer drugs. Nat Rev Cancer (2004) 13.93
Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models. Acc Chem Res (2000) 10.78
A semiempirical free energy force field with charge-based desolvation. J Comput Chem (2007) 8.40
Refined structure of alpha beta-tubulin at 3.5 A resolution. J Mol Biol (2001) 7.08
Q-SiteFinder: an energy-based method for the prediction of protein-ligand binding sites. Bioinformatics (2005) 6.82
Calculation of protein-ligand binding affinities. Annu Rev Biophys Biomol Struct (2007) 6.12
Automated analysis of interatomic contacts in proteins. Bioinformatics (1999) 5.60
Paclitaxel-resistant human ovarian cancer cells have mutant beta-tubulins that exhibit impaired paclitaxel-driven polymerization. J Biol Chem (1997) 5.51
Microtubule assembly, organization and dynamics in axons and dendrites. Nat Rev Neurosci (2009) 4.13
Epothilones, a new class of microtubule-stabilizing agents with a taxol-like mechanism of action. Cancer Res (1995) 4.11
Microtubules and resistance to tubulin-binding agents. Nat Rev Cancer (2010) 3.84
Tubulin modifications and their cellular functions. Curr Opin Cell Biol (2008) 3.52
The tubulin code. Cell Cycle (2007) 2.80
Activities of the microtubule-stabilizing agents epothilones A and B with purified tubulin and in cells resistant to paclitaxel (Taxol(R)). J Biol Chem (1997) 2.41
A common pharmacophore for epothilone and taxanes: molecular basis for drug resistance conferred by tubulin mutations in human cancer cells. Proc Natl Acad Sci U S A (2000) 2.20
The binding mode of epothilone A on alpha,beta-tubulin by electron crystallography. Science (2004) 2.18
Microtubule inhibitors: Differentiating tubulin-inhibiting agents based on mechanisms of action, clinical activity, and resistance. Mol Cancer Ther (2009) 2.10
Epothilones: mechanism of action and biologic activity. J Clin Oncol (2004) 1.80
Microtubule alterations and mutations induced by desoxyepothilone B: implications for drug-target interactions. Chem Biol (2003) 1.70
Paclitaxel resistance in non-small-cell lung cancer associated with beta-tubulin gene mutations. J Clin Oncol (1999) 1.58
A common pharmacophore for cytotoxic natural products that stabilize microtubules. Proc Natl Acad Sci U S A (1999) 1.49
A beta-tubulin leucine cluster involved in microtubule assembly and paclitaxel resistance. J Biol Chem (1999) 1.43
Mutations in beta-tubulin map to domains involved in regulation of microtubule stability in epothilone-resistant cell lines. Mol Cancer Ther (2001) 1.28
Taxol allosterically alters the dynamics of the tubulin dimer and increases the flexibility of microtubules. Biophys J (2008) 1.24
A common pharmacophore for Taxol and the epothilones based on the biological activity of a taxane molecule lacking a C-13 side chain. Biochemistry (2000) 1.22
The taxol pharmacophore and the T-taxol bridging principle. Cell Cycle (2005) 1.16
Molecular mechanisms of patupilone resistance. Cancer Res (2008) 1.11
A highly epothilone B-resistant A549 cell line with mutations in tubulin that confer drug dependence. Mol Cancer Ther (2005) 1.07
Equilibrium studies of a fluorescent paclitaxel derivative binding to microtubules. Biochemistry (2000) 0.99
Mutational analysis of the class I beta-tubulin gene in human breast cancer. Int J Cancer (2002) 0.96
Resistance to microtubule-stabilizing drugs involves two events: beta-tubulin mutation in one allele followed by loss of the second allele. Cell Cycle (2005) 0.87
Energetic analysis of binding of progesterone and 5 beta-androstane-3,17-dione to anti-progesterone antibody DB3 using molecular dynamics and free energy calculations. Protein Eng (2001) 0.86
Evaluation of novel epothilone analogues by means of a common pharmacophore and a QSAR pseudoreceptor model for taxanes and epothilones. ChemMedChem (2010) 0.85
Dynamics of "flap" structures in three HIV-1 protease/inhibitor complexes probed by total chemical synthesis and pulse-EPR spectroscopy. J Am Chem Soc (2009) 1.10
Self-assembled reverse micelles in supercritical CO2 entrap protein in native state. J Am Chem Soc (2008) 0.82
Probing the conformational flexibility of monomeric FtsZ in GTP-bound, GDP-bound, and nucleotide-free states. Biochemistry (2013) 0.81
Molecular interactions of the physiological anti-hypertensive peptide catestatin with the neuronal nicotinic acetylcholine receptor. J Cell Sci (2012) 0.81
Why are the truncated cyclin Es more effective CDK2 activators than the full-length isoforms? Biochemistry (2014) 0.81
Dynamic flaps in HIV-1 protease adopt unique ordering at different stages in the catalytic cycle. Proteins (2011) 0.80
Molecular dynamics simulations of ligand-induced flap closing in HIV-1 protease approach X-ray resolution: establishing the role of bound water in the flap closing mechanism. Biochemistry (2008) 0.80
Naturally occurring variants of the dysglycemic peptide pancreastatin: differential potencies for multiple cellular functions and structure-function correlation. J Biol Chem (2013) 0.77
Self-assembled inverted micelles stabilize ionic liquid domains in supercritical CO2. J Am Chem Soc (2010) 0.77
Functional genetic variants of the catecholamine-release-inhibitory peptide catestatin in an Indian population: allele-specific effects on metabolic traits. J Biol Chem (2012) 0.77
Molecular basis of differential selectivity of cyclobutyl-substituted imidazole inhibitors against CDKs: insights for rational drug design. PLoS One (2013) 0.76
Relating nucleotide-dependent conformational changes in free tubulin dimers to tubulin assembly. Biopolymers (2013) 0.76
Groove binding mechanism of ionic liquids: a key factor in long-term stability of DNA in hydrated ionic liquids? J Am Chem Soc (2012) 0.76
Explaining the differential solubility of flue gas components in ionic liquids from first-principle calculations. J Phys Chem B (2009) 0.75
Divergent trend in density versus viscosity of ionic liquid/water mixtures: a molecular view from guanidinium ionic liquids. Phys Chem Chem Phys (2015) 0.75
Enhanced stability and water solubilizing capacity of water-in-oil microemulsions based on protic ionic liquids. Phys Chem Chem Phys (2017) 0.75
Electrostatics Plays a Crucial Role in HIV-1 Protease Substrate Binding, Drugs Fail to Take the Advantage. Biochemistry (2020) 0.75