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Protein flexibility and computer-aided drug design.
Annual review of pharmacology and toxicology , 2003 | Pubmed ID: 12142469
Association of the SULT1A1 R213H polymorphism with colorectal cancer.
Clinical and experimental pharmacology & physiology Sep, 2002 | Pubmed ID: 12165038
Designing specific protein kinase inhibitors: insights from computer simulations and comparative sequence/structure analysis.
Pharmacology & therapeutics Feb-Mar, 2002 | Pubmed ID: 12191609
E2F modulates keratinocyte squamous differentiation: implications for E2F inhibition in squamous cell carcinoma.
The Journal of biological chemistry Aug, 2003 | Pubmed ID: 12754218
A computational model of binding thermodynamics: the design of cyclin-dependent kinase 2 inhibitors.
Journal of medicinal chemistry Jul, 2003 | Pubmed ID: 12852762
Brownian dynamics simulation of helix-capping motifs.
Biopolymers Oct, 2003 | Pubmed ID: 14517913
Brownian dynamics simulations of ion atmospheres around polyalanine and B-DNA: effects of biomolecular dielectric.
Biopolymers Oct, 2003 | Pubmed ID: 14579311
Protein simulation and drug design.
Advances in protein chemistry , 2003 | Pubmed ID: 14631817
Charge optimization of the interface between protein kinases and their ligands.
Journal of computational chemistry Aug, 2004 | Pubmed ID: 15185335
The DIX domain protein coiled-coil-DIX1 inhibits c-Jun N-terminal kinase activation by Axin and dishevelled through distinct mechanisms.
The Journal of biological chemistry Sep, 2004 | Pubmed ID: 15262978
AP-2 transcription factor family member expression, activity, and regulation in human epidermal keratinocytes in vitro.
Differentiation; research in biological diversity Jun, 2004 | Pubmed ID: 15270775
E2F6: a member of the E2F family that does not modulate squamous differentiation.
Biochemical and biophysical research communications Nov, 2004 | Pubmed ID: 15474455
Finite concentration effects on diffusion-controlled reactions.
The Journal of chemical physics Oct, 2004 | Pubmed ID: 15485251
Release of ADP from the catalytic subunit of protein kinase A: a molecular dynamics simulation study.
Protein science : a publication of the Protein Society Jan, 2005 | Pubmed ID: 15608120
E2F suppression and Sp1 overexpression are sufficient to induce the differentiation-specific marker, transglutaminase type 1, in a squamous cell carcinoma cell line.
Oncogene May, 2005 | Pubmed ID: 15735752
Relative contributions of desolvation, inter- and intramolecular interactions to binding affinity in protein kinase systems.
Journal of computational chemistry May, 2005 | Pubmed ID: 15754303
Exploiting novel cell cycle targets in the development of anticancer agents.
Current cancer drug targets Mar, 2005 | Pubmed ID: 15810874
Laparoscopy compared with laparotomy for the surgical staging of endometrial carcinoma.
The journal of obstetrics and gynaecology research Aug, 2005 | Pubmed ID: 16018773
Direct estimation of entropy loss due to reduced translational and rotational motions upon molecular binding.
Biopolymers Dec, 2005 | Pubmed ID: 16078192
Is it necessary to catheterise the bladder routinely before gynaecological laparoscopic surgery?
The Australian & New Zealand journal of obstetrics & gynaecology Oct, 2005 | Pubmed ID: 16171472
Molecular docking of balanol to dynamics snapshots of protein kinase A.
Proteins Dec, 2005 | Pubmed ID: 16245317
Calculation of solvation free energy from quantum mechanical charge density and continuum dielectric theory.
The journal of physical chemistry. A Apr, 2006 | Pubmed ID: 16599457
Molecular dynamics simulation of laser desorption of a fragment of protein kinase A from two MALDI matrices.
The journal of physical chemistry. A Apr, 2006 | Pubmed ID: 16623462
Sevoflurane-induced oxidative stress and cellular injury in human peripheral polymorphonuclear neutrophils.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association Aug, 2006 | Pubmed ID: 16678324
Rank-ordering protein-ligand binding affinity by a quantum mechanics/molecular mechanics/Poisson-Boltzmann-surface area model.
The Journal of chemical physics Jan, 2007 | Pubmed ID: 17228977
Theoretical studies of the effect of the dipolar field in multiple spin-echo sequences with refocusing pulses of finite duration.
Journal of magnetic resonance (San Diego, Calif. : 1997) Apr, 2007 | Pubmed ID: 17257870
Polycomb group protein RING1B is a direct substrate of Caspases-3 and -9.
Biochimica et biophysica acta Jun, 2007 | Pubmed ID: 17379327
Synthetic musk fragrances in human milk from the United States.
Environmental science & technology Jun, 2007 | Pubmed ID: 17612154
The efficacy of protective effects of tannic acid, gallic acid, ellagic acid, and propyl gallate against hydrogen peroxide-induced oxidative stress and DNA damages in IMR-90 cells.
Molecular nutrition & food research Aug, 2007 | Pubmed ID: 17628875
A mining minima approach to exploring the docking pathways of p-nitrocatechol sulfate to YopH.
Biophysical journal Dec, 2007 | Pubmed ID: 17766352
Flexible protein-flexible ligand docking with disrupted velocity simulated annealing.
Proteins Apr, 2008 | Pubmed ID: 17957770
Polybrominated diphenyl ethers and organochlorine pesticides in human breast milk from Massachusetts, USA.
Journal of environmental monitoring : JEM Nov, 2007 | Pubmed ID: 17968447
Flexible ligand-flexible protein docking in protein kinase systems.
Biochimica et biophysica acta Jan, 2008 | Pubmed ID: 17996742
MicroRNA-26a targets the histone methyltransferase Enhancer of Zeste homolog 2 during myogenesis.
The Journal of biological chemistry Apr, 2008 | Pubmed ID: 18281287
Perfluorinated compounds in human milk from Massachusetts, U.S.A.
Environmental science & technology Apr, 2008 | Pubmed ID: 18497172
Variable atomic radii for continuum-solvent electrostatics calculation.
The Journal of chemical physics Jul, 2008 | Pubmed ID: 18624485
A SARS-CoV protein, ORF-6, induces caspase-3 mediated, ER stress and JNK-dependent apoptosis.
Biochimica et biophysica acta Dec, 2008 | Pubmed ID: 18708124
Conformational selection of protein kinase A revealed by flexible-ligand flexible-protein docking.
Journal of computational chemistry Mar, 2009 | Pubmed ID: 18711718
A computational study of the phosphorylation mechanism of the insulin receptor tyrosine kinase.
The journal of physical chemistry. A Apr, 2009 | Pubmed ID: 19334696
Beyond thermodynamics: drug binding kinetics could influence epidermal growth factor signaling.
Journal of medicinal chemistry Sep, 2009 | Pubmed ID: 19702309
Docking flexible peptide to flexible protein by molecular dynamics using two implicit-solvent models: an evaluation in protein kinase and phosphatase systems.
The journal of physical chemistry. B Oct, 2009 | Pubmed ID: 19845408
Theoretical analysis of the sensitivity of dipolar field signal to local field variations by perturbative expansion of the magnetization.
Journal of magnetic resonance (San Diego, Calif. : 1997) Mar, 2010 | Pubmed ID: 20022774
Derivatives of salicylic acid as inhibitors of YopH in Yersinia pestis.
Chemical biology & drug design Aug, 2010 | Pubmed ID: 20560978
Quantitative analysis of promoter methylation in exfoliated epithelial cells isolated from breast milk of healthy women.
Epigenetics : official journal of the DNA Methylation Society Oct, 2010 | Pubmed ID: 20716965
Promising multiple-epitope recombinant vaccine against foot-and-mouth disease virus type O in swine.
Clinical and vaccine immunology : CVI Jan, 2011 | Pubmed ID: 21084463
A review on the formation of titania nanotube photocatalysts by hydrothermal treatment.
Journal of environmental management Jul, 2011 | Pubmed ID: 21450395
Influence of kinetics of drug binding on EGFR signaling: a comparative study of three EGFR signaling pathway models.
Proteins Aug, 2011 | Pubmed ID: 21638335
Suppression of adaptive immunity to heterologous antigens by SJ16 of Schistosoma japonicum.
The Journal of parasitology Apr, 2012 | Pubmed ID: 22017401
A case study of scoring and rescoring in peptide docking.
Methods in molecular biology (Clifton, N.J.) , 2012 | Pubmed ID: 22183543
Human dendritic cells engineered to secrete interleukin-18 activate MAGE-A3-specific cytotoxic T lymphocytes in vitro.
Immunological investigations , 2012 | Pubmed ID: 22490235
Cell survival, DNA damage, and oncogenic transformation after a transient and reversible apoptotic response.
Molecular biology of the cell Jun, 2012 | Pubmed ID: 22535522
Simulation reveals two major docking pathways between the hexapeptide GDYMNM and the catalytic domain of the insulin receptor protein kinase.
Proteins Aug, 2012 | Pubmed ID: 22619075
Coiled-coil peptide based sensor for ultra-sensitive thrombin detection.
Biosensors & bioelectronics May, 2014 | Pubmed ID: 24355462
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