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Items: 1 to 20 of 194

1.

Pharmacological Chaperones: Design and Development of New Therapeutic Strategies for the Treatment of Conformational Diseases.

Convertino M, Das J, Dokholyan NV.

ACS Chem Biol. 2016 Apr 28. [Epub ahead of print]

PMID:
27097127
2.

Computational Modeling of Small Molecule Ligand Binding Interactions and Affinities.

Convertino M, Dokholyan NV.

Methods Mol Biol. 2016;1414:23-32. doi: 10.1007/978-1-4939-3569-7_2.

PMID:
27094283
3.
4.

A modified PATH algorithm rapidly generates transition states comparable to those found by other well established algorithms.

Chandrasekaran SN, Das J, Dokholyan NV, Carter CW Jr.

Struct Dyn. 2016 Feb 24;3(1):012101. doi: 10.1063/1.4941599. eCollection 2016 Jan.

5.

Controlling Allosteric Networks in Proteins.

Dokholyan NV.

Chem Rev. 2016 Feb 19. [Epub ahead of print]

PMID:
26894745
6.

A hidden aggregation-prone structure in the heart of hypoxia inducible factor prolyl hydroxylase.

Hadi-Alijanvand H, Proctor EA, Ding F, Dokholyan NV, Moosavi-Movahedi AA.

Proteins. 2016 May;84(5):611-23. doi: 10.1002/prot.25011. Epub 2016 Mar 6.

PMID:
26868435
7.

Nonnative SOD1 trimer is toxic to motor neurons in a model of amyotrophic lateral sclerosis.

Proctor EA, Fee L, Tao Y, Redler RL, Fay JM, Zhang Y, Lv Z, Mercer IP, Deshmukh M, Lyubchenko YL, Dokholyan NV.

Proc Natl Acad Sci U S A. 2016 Jan 19;113(3):614-9. doi: 10.1073/pnas.1516725113. Epub 2015 Dec 30.

PMID:
26719414
8.

Gain-of-Function Mutation W493R in the Epithelial Sodium Channel Allosterically Reconfigures Intersubunit Coupling.

Shobair M, Dagliyan O, Kota P, Dang YL, He H, Stutts MJ, Dokholyan NV.

J Biol Chem. 2016 Feb 19;291(8):3682-92. doi: 10.1074/jbc.M115.678052. Epub 2015 Dec 14.

PMID:
26668308
9.

Structural and functional interactions between six-transmembrane μ-opioid receptors and β2-adrenoreceptors modulate opioid signaling.

Samoshkin A, Convertino M, Viet CT, Wieskopf JS, Kambur O, Marcovitz J, Patel P, Stone LS, Kalso E, Mogil JS, Schmidt BL, Maixner W, Dokholyan NV, Diatchenko L.

Sci Rep. 2015 Dec 11;5:18198. doi: 10.1038/srep18198.

10.

Applications of Discrete Molecular Dynamics in biology and medicine.

Proctor EA, Dokholyan NV.

Curr Opin Struct Biol. 2016 Apr;37:9-13. doi: 10.1016/j.sbi.2015.11.001. Epub 2015 Nov 28. Review.

PMID:
26638022
11.

Protein Destabilization as a Common Factor in Diverse Inherited Disorders.

Redler RL, Das J, Diaz JR, Dokholyan NV.

J Mol Evol. 2016 Jan;82(1):11-6. doi: 10.1007/s00239-015-9717-5. Epub 2015 Nov 19.

PMID:
26584803
12.

Dynamic Docking of Conformationally Constrained Macrocycles: Methods and Applications.

Allen SE, Dokholyan NV, Bowers AA.

ACS Chem Biol. 2016 Jan 15;11(1):10-24. doi: 10.1021/acschembio.5b00663. Epub 2015 Dec 4.

PMID:
26575401
13.

Differential Regulation of 6- and 7-Transmembrane Helix Variants of μ-Opioid Receptor in Response to Morphine Stimulation.

Convertino M, Samoshkin A, Viet CT, Gauthier J, Li Fraine SP, Sharif-Naeini R, Schmidt BL, Maixner W, Diatchenko L, Dokholyan NV.

PLoS One. 2015 Nov 10;10(11):e0142826. doi: 10.1371/journal.pone.0142826. eCollection 2015.

14.

ApoE4-specific Misfolded Intermediate Identified by Molecular Dynamics Simulations.

Williams B 2nd, Convertino M, Das J, Dokholyan NV.

PLoS Comput Biol. 2015 Oct 27;11(10):e1004359. doi: 10.1371/journal.pcbi.1004359. eCollection 2015 Oct.

15.

Differences in the Antinociceptive Effects and Binding Properties of Propranolol and Bupranolol Enantiomers.

Martin LJ, Piltonen MH, Gauthier J, Convertino M, Acland EL, Dokholyan NV, Mogil JS, Diatchenko L, Maixner W.

J Pain. 2015 Dec;16(12):1321-33. doi: 10.1016/j.jpain.2015.09.004. Epub 2015 Oct 9.

PMID:
26456674
16.

COMT gene locus: new functional variants.

Meloto CB, Segall SK, Smith S, Parisien M, Shabalina SA, Rizzatti-Barbosa CM, Gauthier J, Tsao D, Convertino M, Piltonen MH, Slade GD, Fillingim RB, Greenspan JD, Ohrbach R, Knott C, Maixner W, Zaykin D, Dokholyan NV, Reenilä I, Männistö PT, Diatchenko L.

Pain. 2015 Oct;156(10):2072-83. doi: 10.1097/j.pain.0000000000000273.

17.

Non-canonical Bromodomain within DNA-PKcs Promotes DNA Damage Response and Radioresistance through Recognizing an IR-Induced Acetyl-Lysine on H2AX.

Wang L, Xie L, Ramachandran S, Lee Y, Yan Z, Zhou L, Krajewski K, Liu F, Zhu C, Chen DJ, Strahl BD, Jin J, Dokholyan NV, Chen X.

Chem Biol. 2015 Jul 23;22(7):849-61. doi: 10.1016/j.chembiol.2015.05.014. Epub 2015 Jun 25.

PMID:
26119999
18.

Channel Gating Dependence on Pore Lining Helix Glycine Residues in Skeletal Muscle Ryanodine Receptor.

Mei Y, Xu L, Mowrey DD, Mendez Giraldez R, Wang Y, Pasek DA, Dokholyan NV, Meissner G.

J Biol Chem. 2015 Jul 10;290(28):17535-45. doi: 10.1074/jbc.M115.659672. Epub 2015 May 21.

PMID:
25998124
19.

iFoldRNA v2: folding RNA with constraints.

Krokhotin A, Houlihan K, Dokholyan NV.

Bioinformatics. 2015 Sep 1;31(17):2891-3. doi: 10.1093/bioinformatics/btv221. Epub 2015 Apr 24.

PMID:
25910700
20.

RNA-Puzzles Round II: assessment of RNA structure prediction programs applied to three large RNA structures.

Miao Z, Adamiak RW, Blanchet MF, Boniecki M, Bujnicki JM, Chen SJ, Cheng C, Chojnowski G, Chou FC, Cordero P, Cruz JA, Ferré-D'Amaré AR, Das R, Ding F, Dokholyan NV, Dunin-Horkawicz S, Kladwang W, Krokhotin A, Lach G, Magnus M, Major F, Mann TH, Masquida B, Matelska D, Meyer M, Peselis A, Popenda M, Purzycka KJ, Serganov A, Stasiewicz J, Szachniuk M, Tandon A, Tian S, Wang J, Xiao Y, Xu X, Zhang J, Zhao P, Zok T, Westhof E.

RNA. 2015 Jun;21(6):1066-84. doi: 10.1261/rna.049502.114. Epub 2015 Apr 16.

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