Nikolay Dokholyan - Publications

Affiliations: 
1999 Boston University, Boston, MA, United States 
 2002- Biochemistry and Biophysics University of North Carolina, Chapel Hill, Chapel Hill, NC 
Area:
Molecular etiologies of human diseases
Website:
http://www.med.unc.edu/biochem/people/faculty/primary/dokholyan

226 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Zhang DY, Wang J, Huang G, Langberg S, Ding F, Dokholyan NV. APOE regulates the transport of GM1. Biorxiv : the Preprint Server For Biology. PMID 38617316 DOI: 10.1101/2024.04.02.587789  0.46
2023 Lawanprasert A, Sloand JN, Vargas MG, Singh H, Eldor T, Miller MA, Pimcharoen S, Wang J, Leighow SM, Pritchard JR, Dokholyan NV, Medina SH. Deciphering the mechanistic basis for perfluoroalkyl-protein interactions. Chembiochem : a European Journal of Chemical Biology. e202300159. PMID 36943393 DOI: 10.1002/cbic.202300159  0.308
2022 Zhang DY, Wang J, Fleeman RM, Kuhn MK, Swulius MT, Proctor EA, Dokholyan NV. Monosialotetrahexosylganglioside Promotes Early Aβ42 Oligomer Formation and Maintenance. Acs Chemical Neuroscience. PMID 35713284 DOI: 10.1021/acschemneuro.2c00221  0.606
2021 Muralidharan A, Samoshkin A, Convertino M, Piltonen MH, Gris P, Wang J, Jiang C, Klares R, Linton A, Ji RR, Maixner W, Dokholyan NV, Mogil JS, Diatchenko L. Identification and characterization of novel candidate compounds targeting 6- and 7-transmembrane mu-opioid receptor isoforms. British Journal of Pharmacology. PMID 33782947 DOI: 10.1111/bph.15463  0.731
2020 Piltonen M, Krokhotin A, Parisien M, Bérubé P, Djambazian H, Sladek R, Dokholyan NV, Shabalina SA, Diatchenko L. Correction to: Alternative Splicing of Opioid Receptor Genes Shows a Conserved Pattern for 6TM Receptor Variants. Cellular and Molecular Neurobiology. PMID 33201419 DOI: 10.1007/s10571-020-00999-9  0.454
2020 Piltonen M, Krokhotin A, Parisien M, Bérubé P, Djambazian H, Sladek R, Dokholyan NV, Shabalina SA, Diatchenko L. Alternative Splicing of Opioid Receptor Genes Shows a Conserved Pattern for 6TM Receptor Variants. Cellular and Molecular Neurobiology. PMID 33010019 DOI: 10.1007/s10571-020-00971-7  0.473
2020 Wu HD, Kikuchi M, Dagliyan O, Aragaki AK, Nakamura H, Dokholyan NV, Umehara T, Inoue T. Rational design and implementation of a chemically inducible heterotrimerization system. Nature Methods. PMID 32747768 DOI: 10.1038/S41592-020-0913-X  0.72
2020 Miao Z, Adamiak RW, Antczak M, Boniecki MJ, Bujnicki JM, Chen SJ, Cheng CY, Cheng Y, Chou FC, Das R, Dokholyan NV, Ding F, Geniesse C, Jiang Y, Joshi A, et al. RNA-Puzzles Round IV: 3D structure predictions of four ribozymes and two aptamers. Rna (New York, N.Y.). PMID 32371455 DOI: 10.1261/Rna.075341.120  0.454
2019 Proctor EA, Mowrey DD, Dokholyan NV. β-Methylamino-L-alanine substitution of serine in SOD1 suggests a direct role in ALS etiology. Plos Computational Biology. 15: e1007225. PMID 31323035 DOI: 10.1371/Journal.Pcbi.1007225  0.632
2019 Zhu C, Han Q, Samoshkin A, Convertino M, Linton A, Faison EM, Ji RR, Diatchenko L, Dokholyan NV. Stabilization of μ-opioid receptor facilitates its cellular translocation and signaling. Proteins. PMID 31141214 DOI: 10.1002/Prot.25751  0.755
2019 Bonfanti S, Lionetti MC, Fumagalli MR, Chirasani VR, Tiana G, Dokholyan NV, Zapperi S, La Porta CAM. Molecular mechanisms of heterogeneous oligomerization of huntingtin proteins. Scientific Reports. 9: 7615. PMID 31110208 DOI: 10.1038/S41598-019-44151-0  0.555
2019 Dagliyan O, Dokholyan NV, Hahn KM. Engineering proteins for allosteric control by light or ligands. Nature Protocols. PMID 31076662 DOI: 10.1038/S41596-019-0165-3  0.779
2019 Dokholyan NV, Dagliyan O, Hahn KM. Control of Cellular Networks by Structural Disorder Biophysical Journal. 116: 490a. DOI: 10.1016/J.Bpj.2018.11.2645  0.721
2018 Dagliyan O, Krokhotin A, Ozkan-Dagliyan I, Deiters A, Der CJ, Hahn KM, Dokholyan NV. Computational design of chemogenetic and optogenetic split proteins. Nature Communications. 9: 4042. PMID 30279442 DOI: 10.1038/S41467-018-06531-4  0.777
2018 Luo J, Samanta S, Convertino M, Dokholyan NV, Deiters A. Reversible and Tunable Photoswitching of Protein Function through Genetic Encoding of Azobenzene Amino Acids in Mammalian Cells. Chembiochem : a European Journal of Chemical Biology. PMID 30277634 DOI: 10.1002/Cbic.201800226  0.721
2018 Han Q, Liu D, Convertino M, Wang Z, Jiang C, Kim YH, Luo X, Zhang X, Nackley A, Dokholyan NV, Ji RR. miRNA-711 Binds and Activates TRPA1 Extracellularly to Evoke Acute and Chronic Pruritus. Neuron. PMID 30033153 DOI: 10.1016/J.Neuron.2018.06.039  0.67
2018 Wang C, Aleksandrov AA, Yang Z, Forouhar F, Proctor EA, Kota P, An J, Kaplan A, Khazanov N, Boël G, Stockwell BR, Senderowitz H, Dokholyan NV, Riordan JR, Brouillette CG, et al. Ligand binding to a remote site thermodynamically corrects the F508del mutation in the human cystic fibrosis transmembrane conductance regulator. The Journal of Biological Chemistry. PMID 29903914 DOI: 10.1074/Jbc.Ra117.000819  0.778
2018 Luo J, Samanta S, Convertino M, Dokholyan NV, Deiters A. Front Cover: Reversible and Tunable Photoswitching of Protein Function through Genetic Encoding of Azobenzene Amino Acids in Mammalian Cells (ChemBioChem 20/2018) Chembiochem. 19: 2120-2120. DOI: 10.1002/Cbic.201800570  0.694
2017 Williams B, Zhao B, Tandon A, Ding F, Weeks KM, Zhang Q, Dokholyan NV. Structure modeling of RNA using sparse NMR constraints. Nucleic Acids Research. PMID 29165648 DOI: 10.1093/Nar/Gkx1058  0.467
2017 Williams B, Convertino M, Das J, Dokholyan NV. Molecular Mechanisms of the R61T Mutation in Apolipoprotein E4: A Dynamic Rescue. Biophysical Journal. PMID 28916386 DOI: 10.1016/J.Bpj.2017.08.026  0.742
2017 Dronamraju R, Ramachandran S, Jha DK, Adams AT, DiFiore JV, Parra MA, Dokholyan NV, Strahl BD. Redundant Functions for Nap1 and Chz1 in H2A.Z Deposition. Scientific Reports. 7: 10791. PMID 28883625 DOI: 10.1038/S41598-017-11003-8  0.446
2017 Brodie NI, Popov KI, Petrotchenko EV, Dokholyan NV, Borchers CH. Solving protein structures using short-distance cross-linking constraints as a guide for discrete molecular dynamics simulations. Science Advances. 3: e1700479. PMID 28695211 DOI: 10.1126/sciadv.1700479  0.304
2017 Dagliyan O, Karginov AV, Yagishita S, Gale ME, Wang H, DerMardirossian C, Wells CM, Dokholyan NV, Kasai H, Hahn KM. Engineering Pak1 allosteric switches. Acs Synthetic Biology. PMID 28365983 DOI: 10.1021/Acssynbio.6B00359  0.743
2017 Khan A, Convertino M, Maixner W, Dokholyan N. (147) Structural basis underlying the interaction between miRNAs and TLR8 The Journal of Pain. 18: S13. DOI: 10.1016/J.Jpain.2017.02.053  0.687
2017 Campbell SL, Thompson PM, Ramachandran S, Case L, Dokholyan N, Tolbert C, Waterman CM. Role of PIP2-Dependent Membrane Interactions in Vinculin Activation, Motility and Force Transmission Biophysical Journal. 112: 479a. DOI: 10.1016/J.Bpj.2016.11.2594  0.594
2016 Thompson PM, Ramachandran S, Case LB, Tolbert CE, Tandon A, Pershad M, Dokholyan NV, Waterman CM, Campbell SL. A Structural Model for Vinculin Insertion into PIP2-Containing Membranes and the Effect of Insertion on Vinculin Activation and Localization. Structure (London, England : 1993). PMID 28089450 DOI: 10.1016/J.Str.2016.12.002  0.499
2016 Dagliyan O, Tarnawski M, Chu PH, Shirvanyants D, Schlichting I, Dokholyan NV, Hahn KM. Engineering extrinsic disorder to control protein activity in living cells. Science (New York, N.Y.). 354: 1441-1444. PMID 27980211 DOI: 10.1126/Science.Aah3404  0.779
2016 Fay JM, Zhu C, Proctor EA, Tao Y, Cui W, Ke H, Dokholyan NV. A Phosphomimetic Mutation Stabilizes SOD1 and Rescues Cell Viability in the Context of an ALS-Associated Mutation. Structure (London, England : 1993). PMID 27667694 DOI: 10.1016/J.Str.2016.08.011  0.63
2016 Convertino M, Das J, Dokholyan NV. Pharmacological chaperones: design and development of new therapeutic strategies for the treatment of conformational diseases. Acs Chemical Biology. PMID 27097127 DOI: 10.1021/Acschembio.6B00195  0.732
2016 Convertino M, Dokholyan NV. Computational Modeling of Small Molecule Ligand Binding Interactions and Affinities. Methods in Molecular Biology (Clifton, N.J.). 1414: 23-32. PMID 27094283 DOI: 10.1007/978-1-4939-3569-7_2  0.716
2016 Politi R, Convertino M, Popov K, Dokholyan NV, Tropsha A. Docking and Scoring With Target-Specific Pose Classifier Succeeds in Native-Like Pose Identification But Not Binding Affinity Prediction In The CSAR 2014 Benchmark Exercise. Journal of Chemical Information and Modeling. PMID 27050767 DOI: 10.1021/Acs.Jcim.5B00751  0.698
2016 Dokholyan NV. Controlling Allosteric Networks in Proteins. Chemical Reviews. PMID 26894745 DOI: 10.1021/acs.chemrev.5b00544  0.305
2016 Hadi-Alijanvand H, Proctor EA, Ding F, Dokholyan NV, Moosavi-Movahedi AA. A hidden aggregation-prone structure in the heart of hypoxia inducible factor prolyl hydroxylase. Proteins. PMID 26868435 DOI: 10.1002/Prot.25011  0.741
2016 Williams B, Convertino M, Das J, Dokholyan NV. P2-068: Rational Design of APOE4 Mutants as a Tool for Cellular Studies in Alzheimer’s Disease Alzheimer's & Dementia. 12: P634-P634. DOI: 10.1016/J.Jalz.2016.06.1273  0.678
2015 Proctor EA, Fee L, Tao Y, Redler RL, Fay JM, Zhang Y, Lv Z, Mercer IP, Deshmukh M, Lyubchenko YL, Dokholyan NV. Nonnative SOD1 trimer is toxic to motor neurons in a model of amyotrophic lateral sclerosis. Proceedings of the National Academy of Sciences of the United States of America. PMID 26719414 DOI: 10.1073/Pnas.1516725113  0.624
2015 Shobair M, Dagliyan O, Kota P, Dang YL, He H, Stutts MJ, Dokholyan NV. Gain-of-function mutation W493R in the epithelial sodium channel allosterically reconfigures intersubunit coupling. The Journal of Biological Chemistry. PMID 26668308 DOI: 10.1074/Jbc.M115.678052  0.797
2015 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. Structural and functional interactions between six-transmembrane μ-opioid receptors and β2-adrenoreceptors modulate opioid signaling. Scientific Reports. 5: 18198. PMID 26657998 DOI: 10.1038/Srep18198  0.74
2015 Proctor EA, Dokholyan NV. Applications of Discrete Molecular Dynamics in biology and medicine. Current Opinion in Structural Biology. 37: 9-13. PMID 26638022 DOI: 10.1016/J.Sbi.2015.11.001  0.688
2015 Convertino M, Samoshkin A, Viet CT, Gauthier J, Li Fraine SP, Sharif-Naeini R, Schmidt BL, Maixner W, Diatchenko L, Dokholyan NV. Differential Regulation of 6- and 7-Transmembrane Helix Variants of μ-Opioid Receptor in Response to Morphine Stimulation. Plos One. 10: e0142826. PMID 26554831 DOI: 10.1371/Journal.Pone.0142826  0.752
2015 Williams Ii B, Convertino M, Das J, Dokholyan NV. ApoE4-specific Misfolded Intermediate Identified by Molecular Dynamics Simulations. Plos Computational Biology. 11: e1004359. PMID 26506597 DOI: 10.1371/Journal.Pcbi.1004359  0.699
2015 Martin LJ, Piltonen MH, Gauthier J, Convertino M, Acland EL, Dokholyan NV, Mogil JS, Diatchenko L, Maixner W. Differences in the antinociceptive effects and binding properties of propranolol and bupranolol enantiomers. The Journal of Pain : Official Journal of the American Pain Society. PMID 26456674 DOI: 10.1016/J.Jpain.2015.09.004  0.73
2015 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, ... ... Dokholyan NV, et al. COMT gene locus: new functional variants. Pain. 156: 2072-83. PMID 26207649 DOI: 10.1097/J.Pain.0000000000000273  0.767
2015 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. Non-canonical Bromodomain within DNA-PKcs Promotes DNA Damage Response and Radioresistance through Recognizing an IR-Induced Acetyl-Lysine on H2AX. Chemistry & Biology. PMID 26119999 DOI: 10.1016/J.Chembiol.2015.05.014  0.446
2015 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, et al. RNA-Puzzles Round II: assessment of RNA structure prediction programs applied to three large RNA structures. Rna (New York, N.Y.). 21: 1066-84. PMID 25883046 DOI: 10.1261/Rna.049502.114  0.457
2015 Proctor EA, Kota P, Aleksandrov AA, He L, Riordan JR, Dokholyan NV. Rational Coupled Dynamics Network Manipulation Rescues Disease-Relevant Mutant Cystic Fibrosis Transmembrane Conductance Regulator. Chemical Science (Royal Society of Chemistry : 2010). 6: 1237-1246. PMID 25685315 DOI: 10.1039/C4Sc01320D  0.8
2015 Convertino M, Samoshkin A, Gauthier J, Gold MS, Maixner W, Dokholyan NV, Diatchenko L. μ-Opioid receptor 6-transmembrane isoform: A potential therapeutic target for new effective opioids. Progress in Neuro-Psychopharmacology & Biological Psychiatry. 62: 61-7. PMID 25485963 DOI: 10.1016/J.Pnpbp.2014.11.009  0.739
2015 Thompson PM, Lee HT, Kim L, Ramachandran S, Tandon A, Mendez-Giraldez R, Alushin GM, Dokholyan NV, Campbell SL. New Models for Regulation of Vinculin by Actin and Phospholipids Biophysical Journal. 108: 508a-509a. DOI: 10.1016/J.Bpj.2014.11.2784  0.505
2015 Dickens O, Mendez-Giraldez R, Dokholyan N. Modeling the Calcium and Integrin Binding Protein 2 Biophysical Journal. 108: 213a. DOI: 10.1016/J.Bpj.2014.11.1178  0.34
2014 Homan PJ, Tandon A, Rice GM, Ding F, Dokholyan NV, Weeks KM. RNA tertiary structure analysis by 2'-hydroxyl molecular interference. Biochemistry. 53: 6825-33. PMID 25341083 DOI: 10.1021/Bi501218G  0.468
2014 Hasan SS, Proctor EA, Yamashita E, Dokholyan NV, Cramer WA. Traffic within the cytochrome b6f lipoprotein complex: gating of the quinone portal. Biophysical Journal. 107: 1620-8. PMID 25296314 DOI: 10.1016/J.Bpj.2014.08.003  0.633
2014 Nedd S, Redler RL, Proctor EA, Dokholyan NV, Alexandrova AN. Cu,Zn-superoxide dismutase without Zn is folded but catalytically inactive. Journal of Molecular Biology. 426: 4112-24. PMID 25083917 DOI: 10.1016/J.Jmb.2014.07.016  0.639
2014 Kota P, Buchner G, Chakraborty H, Dang YL, He H, Garcia GJ, Kubelka J, Gentzsch M, Stutts MJ, Dokholyan NV. The N-terminal domain allosterically regulates cleavage and activation of the epithelial sodium channel. The Journal of Biological Chemistry. 289: 23029-42. PMID 24973914 DOI: 10.1074/Jbc.M114.570952  0.657
2014 Shirvanyants D, Ramachandran S, Mei Y, Xu L, Meissner G, Dokholyan NV. Pore dynamics and conductance of RyR1 transmembrane domain. Biophysical Journal. 106: 2375-84. PMID 24896116 DOI: 10.1016/J.Bpj.2014.04.023  0.516
2014 Szöllősi D, Horváth T, Han KH, Dokholyan NV, Tompa P, Kalmár L, Hegedűs T. Discrete molecular dynamics can predict helical prestructured motifs in disordered proteins. Plos One. 9: e95795. PMID 24763499 DOI: 10.1371/journal.pone.0095795  0.303
2014 Thompson PM, Tolbert CE, Shen K, Kota P, Palmer SM, Plevock KM, Orlova A, Galkin VE, Burridge K, Egelman EH, Dokholyan NV, Superfine R, Campbell SL. Identification of an actin binding surface on vinculin that mediates mechanical cell and focal adhesion properties. Structure (London, England : 1993). 22: 697-706. PMID 24685146 DOI: 10.1016/J.Str.2014.03.002  0.647
2014 Furukawa Y, Teraguchi S, Ikegami T, Dagliyan O, Jin L, Hall D, Dokholyan NV, Namba K, Akira S, Kurosaki T, Baba Y, Standley DM. Intrinsic disorder mediates cooperative signal transduction in STIM1. Journal of Molecular Biology. 426: 2082-97. PMID 24650897 DOI: 10.1016/J.Jmb.2014.03.006  0.697
2014 Redler RL, Shirvanyants D, Dagliyan O, Ding F, Kim DN, Kota P, Proctor EA, Ramachandran S, Tandon A, Dokholyan NV. Computational approaches to understanding protein aggregation in neurodegeneration. Journal of Molecular Cell Biology. 6: 104-15. PMID 24620031 DOI: 10.1093/Jmcb/Mju007  0.799
2014 He L, Kota P, Aleksandrov AA, Cui L, Jensen T, Dokholyan NV, Riordan JR. Correctors of δF508 CFTR restore global conformational maturation without thermally stabilizing the mutant protein (FASEB Journal (2013) 27 (536 -545) DOI:10.1096/fj.12-216119) Faseb Journal. 28: 2737. DOI: 10.1096/Fj.12-216119Err  0.661
2014 Nedd S, Redler RL, Proctor EA, Dokholyan NV, Alexandrova AN. Cu,Zn-superoxide dismutase without Zn is folded but catalytically inactive Journal of Molecular Biology. 426: 4112-4124. DOI: 10.1016/j.jmb.2014.07.016  0.579
2014 Dokholyan NV, Redler RL, Proctor EA, Ding FV, Wilcox K, Caplow M. Post-Translational Modifications Promote Formation of SOD1 Oligomers with Potential Toxicity in ALS Biophysical Journal. 106: 33a-34a. DOI: 10.1016/J.Bpj.2013.11.258  0.791
2014 Wang C, Kota P, Yang Z, Aleksandrov A, An J, Forouhar F, Boel G, Dokholyan N, Riordan J, Brouillette C, Hunt J. A Robust High-Throughput Assay for Thermodynamic Correctors of the Predominant Molecular Defect Causing Cystic Fibrosis Biophysical Journal. 106: 432a. DOI: 10.1016/J.Bpj.2013.11.2433  0.701
2013 Freeman TC, Black JL, Bray HG, Dagliyan O, Wu YI, Tripathy A, Dokholyan NV, Leisner TM, Parise LV. Identification of novel integrin binding partners for calcium and integrin binding protein 1 (CIB1): structural and thermodynamic basis of CIB1 promiscuity. Biochemistry. 52: 7082-90. PMID 24011356 DOI: 10.1021/Bi400678Y  0.699
2013 Barison N, Cendron L, Loconte V, Proctor EA, Dokholyan NV, Zanotti G. Protein HP1028 from the human pathogen Helicobacter pylori belongs to the lipocalin family. Acta Crystallographica. Section D, Biological Crystallography. 69: 1387-94. PMID 23897462 DOI: 10.1107/S0907444913008160  0.674
2013 Fourches D, Muratov E, Ding F, Dokholyan NV, Tropsha A. Predicting binding affinity of CSAR ligands using both structure-based and ligand-based approaches. Journal of Chemical Information and Modeling. 53: 1915-22. PMID 23809015 DOI: 10.1021/Ci400216Q  0.465
2013 Kummer L, Hsu CW, Dagliyan O, MacNevin C, Kaufholz M, Zimmermann B, Dokholyan NV, Hahn KM, Plückthun A. Knowledge-based design of a biosensor to quantify localized ERK activation in living cells. Chemistry & Biology. 20: 847-56. PMID 23790495 DOI: 10.1016/J.Chembiol.2013.04.016  0.751
2013 Hudson NE, Ding F, Bucay I, O'Brien ET, Gorkun OV, Superfine R, Lord ST, Dokholyan NV, Falvo MR. Submillisecond elastic recoil reveals molecular origins of fibrin fiber mechanics. Biophysical Journal. 104: 2671-80. PMID 23790375 DOI: 10.1016/J.Bpj.2013.04.052  0.473
2013 Dagliyan O, Shirvanyants D, Karginov AV, Ding F, Fee L, Chandrasekaran SN, Freisinger CM, Smolen GA, Huttenlocher A, Hahn KM, Dokholyan NV. Rational design of a ligand-controlled protein conformational switch. Proceedings of the National Academy of Sciences of the United States of America. 110: 6800-4. PMID 23569285 DOI: 10.1073/Pnas.1218319110  0.8
2013 Chong PA, Kota P, Dokholyan NV, Forman-Kay JD. Dynamics intrinsic to cystic fibrosis transmembrane conductance regulator function and stability. Cold Spring Harbor Perspectives in Medicine. 3: a009522. PMID 23457292 DOI: 10.1101/Cshperspect.A009522  0.675
2013 Ramachandran S, Chakraborty A, Xu L, Mei Y, Samsó M, Dokholyan NV, Meissner G. Structural determinants of skeletal muscle ryanodine receptor gating. The Journal of Biological Chemistry. 288: 6154-65. PMID 23319589 DOI: 10.1074/Jbc.M112.433789  0.508
2013 Ramachandran S, Ding F, Weeks KM, Dokholyan NV. Statistical analysis of SHAPE-directed RNA secondary structure modeling. Biochemistry. 52: 596-9. PMID 23286327 DOI: 10.1021/Bi300756S  0.611
2013 Proctor EA, Kota P, Demarest SJ, Caravella JA, Dokholyan NV. Highly covarying residues have a functional role in antibody constant domains. Proteins. 81: 884-95. PMID 23280585 DOI: 10.1002/Prot.24247  0.782
2013 Ding F, Dokholyan NV. Incorporating backbone flexibility in MedusaDock improves ligand-binding pose prediction in the CSAR2011 docking benchmark. Journal of Chemical Information and Modeling. 53: 1871-9. PMID 23237273 DOI: 10.1021/Ci300478Y  0.469
2013 Proctor EA, Kota P, Demarest SJ, Caravella JA, Dokholyan NV. Metric to distinguish closely related domain families using sequence information. Journal of Molecular Biology. 425: 475-8. PMID 23219465 DOI: 10.1016/J.Jmb.2012.11.031  0.765
2013 He L, Kota P, Aleksandrov AA, Cui L, Jensen T, Dokholyan NV, Riordan JR. Correctors of ΔF508 CFTR restore global conformational maturation without thermally stabilizing the mutant protein. Faseb Journal : Official Publication of the Federation of American Societies For Experimental Biology. 27: 536-45. PMID 23104983 DOI: 10.1096/Fj.12-216119  0.665
2013 Hadi-Alijanvand H, Proctor EA, Goliaei B, Dokholyan NV, Moosavi-Movahedi AA. Correction: Thermal unfolding pathway of PHD2 catalytic domain in three different PHD2 species: Computational approaches (PLoS ONE) Plos One. 8. DOI: 10.1371/Annotation/C414C3Ec-B64E-4Cf4-Bff2-7Bb7B3Abb558  0.642
2013 Chu P, Karginov AV, Shirvanyants DG, Dokholyan NV, Hahn KM. Generation of a Light Inhibited Src Kinase through Insertion of LOV into the Catalytic Domain Biophysical Journal. 104: 679a. DOI: 10.1016/J.Bpj.2012.11.3750  0.497
2013 Diaz JR, Dokholyan N, Redler R. Is Protein Destabilization a Widespread Factor in Genetic Disease? Biophysical Journal. 104: 565a. DOI: 10.1016/J.Bpj.2012.11.3133  0.357
2012 Cole DI, Legassie JD, Bonifacio LN, Sekaran VG, Ding F, Dokholyan NV, Jarstfer MB. New models of Tetrahymena telomerase RNA from experimentally derived constraints and modeling. Journal of the American Chemical Society. 134: 20070-80. PMID 23163801 DOI: 10.1021/Ja305636U  0.513
2012 Hadi-Alijanvand H, Proctor EA, Goliaei B, Dokholyan NV, Moosavi-Movahedi AA. Thermal unfolding pathway of PHD2 catalytic domain in three different PHD2 species: computational approaches. Plos One. 7: e47061. PMID 23077544 DOI: 10.1371/Journal.Pone.0047061  0.677
2012 Ramachandran S, Temple B, Alexandrova AN, Chaney SG, Dokholyan NV. Recognition of platinum-DNA adducts by HMGB1a. Biochemistry. 51: 7608-17. PMID 22950413 DOI: 10.1021/Bi3008577  0.462
2012 Sparta M, Shirvanyants D, Ding F, Dokholyan NV, Alexandrova AN. Hybrid dynamics simulation engine for metalloproteins Biophysical Journal. 103: 767-776. PMID 22947938 DOI: 10.1016/J.Bpj.2012.06.024  0.526
2012 Nakayama T, Butler JS, Sehgal A, Severgnini M, Racie T, Sharman J, Ding F, Morskaya SS, Brodsky J, Tchangov L, Kosovrasti V, Meys M, Nechev L, Wang G, Peng CG, ... ... Dokholyan NV, et al. Harnessing a physiologic mechanism for siRNA delivery with mimetic lipoprotein particles. Molecular Therapy : the Journal of the American Society of Gene Therapy. 20: 1582-9. PMID 22850721 DOI: 10.1038/Mt.2012.33  0.418
2012 Liberles DA, Teichmann SA, Bahar I, Bastolla U, Bloom J, Bornberg-Bauer E, Colwell LJ, de Koning AP, Dokholyan NV, Echave J, Elofsson A, Gerloff DL, Goldstein RA, Grahnen JA, Holder MT, et al. The interface of protein structure, protein biophysics, and molecular evolution. Protein Science : a Publication of the Protein Society. 21: 769-85. PMID 22528593 DOI: 10.1002/Pro.2071  0.545
2012 Ding F, Lavender CA, Weeks KM, Dokholyan NV. Three-dimensional RNA structure refinement by hydroxyl radical probing. Nature Methods. 9: 603-8. PMID 22504587 DOI: 10.1038/Nmeth.1976  0.463
2012 Tsao D, Wieskopf JS, Rashid N, Sorge RE, Redler RL, Segall SK, Mogil JS, Maixner W, Dokholyan NV, Diatchenko L. Serotonin-induced hypersensitivity via inhibition of catechol O-methyltransferase activity. Molecular Pain. 8: 25. PMID 22500608 DOI: 10.1186/1744-8069-8-25  0.649
2012 Kota P, García-Caballero A, Dang H, Gentzsch M, Stutts MJ, Dokholyan NV. Energetic and structural basis for activation of the epithelial sodium channel by matriptase. Biochemistry. 51: 3460-9. PMID 22471557 DOI: 10.1021/Bi2014773  0.655
2012 Aleksandrov AA, Kota P, Cui L, Jensen T, Alekseev AE, Reyes S, He L, Gentzsch M, Aleksandrov LA, Dokholyan NV, Riordan JR. Allosteric modulation balances thermodynamic stability and restores function of ΔF508 CFTR. Journal of Molecular Biology. 419: 41-60. PMID 22406676 DOI: 10.1016/J.Jmb.2012.03.001  0.676
2012 Pulicherla N, Kota P, Dokholyan NV, Asokan A. Intra- and inter-subunit disulfide bond formation is nonessential in adeno-associated viral capsids. Plos One. 7: e32163. PMID 22389684 DOI: 10.1371/Journal.Pone.0032163  0.677
2012 Cruz JA, Blanchet MF, Boniecki M, Bujnicki JM, Chen SJ, Cao S, Das R, Ding F, Dokholyan NV, Flores SC, Huang L, Lavender CA, Lisi V, Major F, Mikolajczak K, et al. RNA-Puzzles: a CASP-like evaluation of RNA three-dimensional structure prediction. Rna (New York, N.Y.). 18: 610-25. PMID 22361291 DOI: 10.1261/Rna.031054.111  0.439
2012 Shirvanyants D, Ding F, Tsao D, Ramachandran S, Dokholyan NV. Discrete molecular dynamics: an efficient and versatile simulation method for fine protein characterization. The Journal of Physical Chemistry. B. 116: 8375-82. PMID 22280505 DOI: 10.1021/Jp2114576  0.765
2012 Proctor EA, Yin S, Tropsha A, Dokholyan NV. Discrete molecular dynamics distinguishes nativelike binding poses from decoys in difficult targets. Biophysical Journal. 102: 144-51. PMID 22225808 DOI: 10.1016/J.Bpj.2011.11.4008  0.673
2012 Ding F, Furukawa Y, Nukina N, Dokholyan NV. Local unfolding of Cu, Zn superoxide dismutase monomer determines the morphology of fibrillar aggregates. Journal of Molecular Biology. 421: 548-60. PMID 22210350 DOI: 10.1016/J.Jmb.2011.12.029  0.513
2012 Shobair M, Cole D, Ding F, Jarstfer M, Dokholyan N. Computational Modeling of Telomerase in Action Biophysical Journal. 102: 732a. DOI: 10.1016/J.Bpj.2011.11.3972  0.554
2012 Gyimesi G, Ramachandran S, Kota P, Dokholyan NV, Sarkadi B, Hegedűs T. Corrigendum to “ATP hydrolysis at one of the two sites in ABC transporters initiates transport related conformational transitions” [Biochim. Biophys. Acta 1808 (2011) 2954–2964] Biochimica Et Biophysica Acta (Bba) - Biomembranes. 1818: 1435. DOI: 10.1016/J.Bbamem.2012.01.004  0.686
2012 Proctor EA, Ding F, Dokholyan NV. ChemInform Abstract: Discrete Molecular Dynamics Cheminform. 43: no-no. DOI: 10.1002/chin.201240278  0.6
2011 Dagliyan O, Proctor EA, D'Auria KM, Ding F, Dokholyan NV. Structural and dynamic determinants of protein-peptide recognition. Structure (London, England : 1993). 19: 1837-45. PMID 22153506 DOI: 10.1016/J.Str.2011.09.014  0.793
2011 Serohijos AW, Yin S, Ding F, Gauthier J, Gibson DG, Maixner W, Dokholyan NV, Diatchenko L. Structural basis for μ-opioid receptor binding and activation. Structure (London, England : 1993). 19: 1683-90. PMID 22078567 DOI: 10.1016/J.Str.2011.08.003  0.795
2011 Tsao D, Diatchenko L, Dokholyan NV. Structural mechanism of S-adenosyl methionine binding to catechol O-methyltransferase. Plos One. 6: e24287. PMID 21904625 DOI: 10.1371/Journal.Pone.0024287  0.691
2011 Bhattacharyya D, Ramachandran S, Sharma S, Pathmasiri W, King CL, Baskerville-Abraham I, Boysen G, Swenberg JA, Campbell SL, Dokholyan NV, Chaney SG. Flanking bases influence the nature of DNA distortion by platinum 1,2-intrastrand (GG) cross-links. Plos One. 6: e23582. PMID 21853154 DOI: 10.1371/Journal.Pone.0023582  0.604
2011 Gyimesi G, Ramachandran S, Kota P, Dokholyan NV, Sarkadi B, Hegedus T. ATP hydrolysis at one of the two sites in ABC transporters initiates transport related conformational transitions. Biochimica Et Biophysica Acta. 1808: 2954-64. PMID 21840296 DOI: 10.1016/J.Bbamem.2011.07.038  0.735
2011 Redler RL, Wilcox KC, Proctor EA, Fee L, Caplow M, Dokholyan NV. Glutathionylation at Cys-111 induces dissociation of wild type and FALS mutant SOD1 dimers. Biochemistry. 50: 7057-66. PMID 21739997 DOI: 10.1021/Bi200614Y  0.789
2011 Tsao D, Liu S, Dokholyan NV. Regioselectivity of Catechol O-Methyltransferase Confers Enhancement of Catalytic Activity. Chemical Physics Letters. 506: 135-138. PMID 21731105 DOI: 10.1016/J.Cplett.2011.03.048  0.526
2011 Tsygankov D, Serohijos AW, Dokholyan NV, Elston TC. A physical model reveals the mechanochemistry responsible for dynein's processive motion. Biophysical Journal. 101: 144-50. PMID 21723824 DOI: 10.1016/J.Bpj.2011.05.043  0.707
2011 Kota P, Ding F, Ramachandran S, Dokholyan NV. Gaia: automated quality assessment of protein structure models. Bioinformatics (Oxford, England). 27: 2209-15. PMID 21700672 DOI: 10.1093/Bioinformatics/Btr374  0.78
2011 Serohijos AW, Thibodeau PH, Dokholyan NV. Molecular modeling tools and approaches for CFTR and cystic fibrosis. Methods in Molecular Biology (Clifton, N.J.). 741: 347-63. PMID 21594796 DOI: 10.1007/978-1-61779-117-8_23  0.691
2011 Tsao D, Shabalina SA, Gauthier J, Dokholyan NV, Diatchenko L. Disruptive mRNA folding increases translational efficiency of catechol-O-methyltransferase variant. Nucleic Acids Research. 39: 6201-12. PMID 21486747 DOI: 10.1016/J.Jpain.2011.02.129  0.713
2011 Proctor EA, Ding F, Dokholyan NV. Structural and thermodynamic effects of post-translational modifications in mutant and wild type Cu, Zn superoxide dismutase. Journal of Molecular Biology. 408: 555-67. PMID 21396374 DOI: 10.1016/J.Jmb.2011.03.004  0.723
2011 Hadi-Alijanvand H, Rouhani M, Proctor EA, Dokholyan NV, Moosavi-Movahedi AA. A folding pathway-dependent score to recognize membrane proteins. Plos One. 6: e16778. PMID 21390303 DOI: 10.1371/Journal.Pone.0016778  0.655
2011 Ramachandran S, Vogel L, Strahl BD, Dokholyan NV. Thermodynamic stability of histone H3 is a necessary but not sufficient driving force for its evolutionary conservation. Plos Computational Biology. 7: e1001042. PMID 21253558 DOI: 10.1371/Journal.Pcbi.1001042  0.475
2011 Kota P, Dokholyan NV. Approaches for probing the sequence space of substrates recognized by molecular chaperones. Methods (San Diego, Calif.). 53: 318-24. PMID 21195183 DOI: 10.1016/J.Ymeth.2010.12.034  0.671
2011 Karginov AV, Zou Y, Shirvanyants D, Kota P, Dokholyan NV, Young DD, Hahn KM, Deiters A. Light regulation of protein dimerization and kinase activity in living cells using photocaged rapamycin and engineered FKBP. Journal of the American Chemical Society. 133: 420-3. PMID 21162531 DOI: 10.1021/Ja109630V  0.725
2011 Ramachandran S, Kota P, Ding F, Dokholyan NV. Automated minimization of steric clashes in protein structures. Proteins. 79: 261-70. PMID 21058396 DOI: 10.1002/Prot.22879  0.791
2010 Ding F, Yin S, Dokholyan NV. Rapid flexible docking using a stochastic rotamer library of ligands. Journal of Chemical Information and Modeling. 50: 1623-32. PMID 20712341 DOI: 10.1021/Ci100218T  0.454
2010 Tsao D, Minton AP, Dokholyan NV. A didactic model of macromolecular crowding effects on protein folding. Plos One. 5: e11936. PMID 20689808 DOI: 10.1371/Journal.Pone.0011936  0.606
2010 Yin S, Ding F, Dokholyan NV. Computational evaluation of protein stability change upon mutations. Methods in Molecular Biology (Clifton, N.J.). 634: 189-201. PMID 20676985 DOI: 10.1007/978-1-60761-652-8_14  0.527
2010 Karginov AV, Ding F, Kota P, Dokholyan NV, Hahn KM. Engineered allosteric activation of kinases in living cells. Nature Biotechnology. 28: 743-7. PMID 20581846 DOI: 10.1038/Nbt.1639  0.778
2010 Aleksandrov AA, Kota P, Aleksandrov LA, He L, Jensen T, Cui L, Gentzsch M, Dokholyan NV, Riordan JR. Regulatory insertion removal restores maturation, stability and function of DeltaF508 CFTR. Journal of Molecular Biology. 401: 194-210. PMID 20561529 DOI: 10.1016/J.Jmb.2010.06.019  0.664
2010 Lavender CA, Ding F, Dokholyan NV, Weeks KM. Robust and generic RNA modeling using inferred constraints: a structure for the hepatitis C virus IRES pseudoknot domain. Biochemistry. 49: 4931-3. PMID 20545364 DOI: 10.1021/Bi100142Y  0.488
2010 Hajdin CE, Ding F, Dokholyan NV, Weeks KM. On the significance of an RNA tertiary structure prediction. Rna (New York, N.Y.). 16: 1340-9. PMID 20498460 DOI: 10.1261/Rna.1837410  0.468
2010 Lakhani VV, Ding F, Dokholyan NV. Polyglutamine induced misfolding of huntingtin exon1 is modulated by the flanking sequences. Plos Computational Biology. 6: e1000772. PMID 20442863 DOI: 10.1371/Journal.Pcbi.1000772  0.509
2010 Gaillard EA, Kota P, Gentzsch M, Dokholyan NV, Stutts MJ, Tarran R. Regulation of the epithelial Na+ channel and airway surface liquid volume by serine proteases. PflüGers Archiv : European Journal of Physiology. 460: 1-17. PMID 20401730 DOI: 10.1007/S00424-010-0827-Z  0.616
2010 Tsao D, Dokholyan NV. Macromolecular crowding induces polypeptide compaction and decreases folding cooperativity. Physical Chemistry Chemical Physics : Pccp. 12: 3491-500. PMID 20355290 DOI: 10.1039/B924236H  0.634
2010 Kesner BA, Milgram SL, Temple BR, Dokholyan NV. Isoform divergence of the filamin family of proteins. Molecular Biology and Evolution. 27: 283-95. PMID 19805437 DOI: 10.1093/Molbev/Msp236  0.769
2010 Kesner BA, Ding F, Temple BR, Dokholyan NV. N-terminal strands of filamin Ig domains act as a conformational switch under biological forces. Proteins. 78: 12-24. PMID 19514078 DOI: 10.1002/Prot.22479  0.797
2010 Lavender CA, Ding F, Dokholyan NV, Weeks KM. Correction to Robust and Generic RNA Modeling Using Inferred Constraints: A Structure for the Hepatitis C Virus IRES Pseudoknot Domain Biochemistry. 49: 5968-5968. DOI: 10.1021/Bi100935C  0.444
2010 Tsygankov D, Serohijos AW, Dokholyan NV, Elston T. A Coupling of Structural and Kinetic Models Reveals the Stepping Mechanics of Dynein Biophysical Journal. 98: 613a. DOI: 10.1016/J.Bpj.2009.12.3345  0.709
2009 Yin S, Proctor EA, Lugovskoy AA, Dokholyan NV. Fast screening of protein surfaces using geometric invariant fingerprints. Proceedings of the National Academy of Sciences of the United States of America. 106: 16622-6. PMID 19805347 DOI: 10.1073/Pnas.0906146106  0.683
2009 Kota P, Summers DW, Ren HY, Cyr DM, Dokholyan NV. Identification of a consensus motif in substrates bound by a Type I Hsp40. Proceedings of the National Academy of Sciences of the United States of America. 106: 11073-8. PMID 19549854 DOI: 10.1073/Pnas.0900746106  0.686
2009 Serohijos AW, Tsygankov D, Liu S, Elston TC, Dokholyan NV. Multiscale approaches for studying energy transduction in dynein. Physical Chemistry Chemical Physics : Pccp. 11: 4840-50. PMID 19506759 DOI: 10.1039/B902028D  0.688
2009 Ramachandran S, Serohijos AW, Xu L, Meissner G, Dokholyan NV. A structural model of the pore-forming region of the skeletal muscle ryanodine receptor (RyR1). Plos Computational Biology. 5: e1000367. PMID 19390614 DOI: 10.1371/Journal.Pcbi.1000367  0.743
2009 Wilcox KC, Zhou L, Jordon JK, Huang Y, Yu Y, Redler RL, Chen X, Caplow M, Dokholyan NV. Modifications of superoxide dismutase (SOD1) in human erythrocytes: a possible role in amyotrophic lateral sclerosis. The Journal of Biological Chemistry. 284: 13940-7. PMID 19299510 DOI: 10.1074/Jbc.M809687200  0.703
2009 Ramachandran S, Temple BR, Chaney SG, Dokholyan NV. Structural basis for the sequence-dependent effects of platinum-DNA adducts. Nucleic Acids Research. 37: 2434-48. PMID 19255091 DOI: 10.1093/Nar/Gkp029  0.508
2009 Gherghe CM, Leonard CW, Ding F, Dokholyan NV, Weeks KM. Native-like RNA tertiary structures using a sequence-encoded cleavage agent and refinement by discrete molecular dynamics. Journal of the American Chemical Society. 131: 2541-6. PMID 19193004 DOI: 10.1021/Ja805460E  0.482
2009 Torres MP, Lee MJ, Ding F, Purbeck C, Kuhlman B, Dokholyan NV, Dohlman HG. G Protein Mono-ubiquitination by the Rsp5 Ubiquitin Ligase. The Journal of Biological Chemistry. 284: 8940-50. PMID 19176477 DOI: 10.1074/Jbc.M809058200  0.509
2009 Tsygankov D, Serohijos AW, Dokholyan NV, Elston TC. Kinetic models for the coordinated stepping of cytoplasmic dynein. The Journal of Chemical Physics. 130: 025101. PMID 19154055 DOI: 10.1063/1.3050098  0.696
2009 Petrotchenko EV, Xiao K, Cable J, Chen Y, Dokholyan NV, Borchers CH. BiPS, a photocleavable, isotopically coded, fluorescent cross-linker for structural proteomics. Molecular & Cellular Proteomics : McP. 8: 273-86. PMID 18838738 DOI: 10.1074/Mcp.M800265-Mcp200  0.354
2009 Meissner G, Pasek DA, Yamaguchi N, Ramachandran S, Dokholyan NV, Tripathy A. Thermodynamics of calmodulin binding to cardiac and skeletal muscle ryanodine receptor ion channels. Proteins. 74: 207-11. PMID 18618700 DOI: 10.1002/Prot.22148  0.453
2009 Ramachandran S, Serohijos AW, Xu L, Meissner G, Dokholyan NV. Ryanodine Receptor Pore Structure and Function Biophysical Journal. 96: 107a. DOI: 10.1016/J.Bpj.2008.12.462  0.747
2009 Riordan JR, Dokholyan N, Serohijos A, Cui L, Hegedus T, Aleksandrov L, He L, Aleksandrov AA. Influence of DF508 on CFTR assembly and function Pediatric Pulmonology. 44: 122-123. DOI: 10.1002/ppul.20948  0.656
2008 Ding F, Dokholyan NV. Dynamical roles of metal ions and the disulfide bond in Cu, Zn superoxide dismutase folding and aggregation. Proceedings of the National Academy of Sciences of the United States of America. 105: 19696-701. PMID 19052230 DOI: 10.1073/Pnas.0803266105  0.48
2008 Hao J, Serohijos AW, Newton G, Tassone G, Wang Z, Sgroi DC, Dokholyan NV, Basilion JP. Identification and rational redesign of peptide ligands to CRIP1, a novel biomarker for cancers. Plos Computational Biology. 4: e1000138. PMID 18670594 DOI: 10.1371/Journal.Pcbi.1000138  0.681
2008 He L, Aleksandrov AA, Serohijos AW, Hegedus T, Aleksandrov LA, Cui L, Dokholyan NV, Riordan JR. Multiple membrane-cytoplasmic domain contacts in the cystic fibrosis transmembrane conductance regulator (CFTR) mediate regulation of channel gating. The Journal of Biological Chemistry. 283: 26383-90. PMID 18658148 DOI: 10.1074/jbc.M803894200  0.713
2008 Teotico DG, Frazier ML, Ding F, Dokholyan NV, Temple BR, Redinbo MR. Active nuclear receptors exhibit highly correlated AF-2 domain motions. Plos Computational Biology. 4: e1000111. PMID 18617990 DOI: 10.1371/Journal.Pcbi.1000111  0.467
2008 Ding F, Tsao D, Nie H, Dokholyan NV. Ab initio folding of proteins with all-atom discrete molecular dynamics. Structure (London, England : 1993). 16: 1010-8. PMID 18611374 DOI: 10.1016/J.Str.2008.03.013  0.716
2008 Sharma S, Ding F, Dokholyan NV. iFoldRNA: three-dimensional RNA structure prediction and folding. Bioinformatics (Oxford, England). 24: 1951-2. PMID 18579566 DOI: 10.1093/Bioinformatics/Btn328  0.592
2008 Sharma S, Ding F, Dokholyan NV. Probing protein aggregation using discrete molecular dynamics. Frontiers in Bioscience : a Journal and Virtual Library. 13: 4795-808. PMID 18508545 DOI: 10.2741/3039  0.654
2008 Chen Y, Dokholyan NV. Natural selection against protein aggregation on self-interacting and essential proteins in yeast, fly, and worm. Molecular Biology and Evolution. 25: 1530-3. PMID 18503047 DOI: 10.1093/Molbev/Msn122  0.435
2008 Serohijos AW, Hegedus T, Riordan JR, Dokholyan NV. Diminished self-chaperoning activity of the DeltaF508 mutant of CFTR results in protein misfolding. Plos Computational Biology. 4: e1000008. PMID 18463704 DOI: 10.1371/journal.pcbi.1000008  0.732
2008 Ding F, Sharma S, Chalasani P, Demidov VV, Broude NE, Dokholyan NV. Ab initio RNA folding by discrete molecular dynamics: from structure prediction to folding mechanisms. Rna (New York, N.Y.). 14: 1164-73. PMID 18456842 DOI: 10.1261/Rna.894608  0.605
2008 Hegedus T, Serohijos AW, Dokholyan NV, He L, Riordan JR. Computational studies reveal phosphorylation-dependent changes in the unstructured R domain of CFTR. Journal of Molecular Biology. 378: 1052-63. PMID 18423665 DOI: 10.1016/j.jmb.2008.03.033  0.709
2008 Serohijos AW, Hegedus T, Aleksandrov AA, He L, Cui L, Dokholyan NV, Riordan JR. Phenylalanine-508 mediates a cytoplasmic-membrane domain contact in the CFTR 3D structure crucial to assembly and channel function. Proceedings of the National Academy of Sciences of the United States of America. 105: 3256-61. PMID 18305154 DOI: 10.1073/pnas.0800254105  0.723
2008 Sharma S, Dokholyan NV. DNA sequence mediates nucleosome structure and stability. Biophysical Journal. 94: 1-3. PMID 17933872 DOI: 10.1529/Biophysj.107.119172  0.439
2008 Chen Y, Ding F, Nie H, Serohijos AW, Sharma S, Wilcox KC, Yin S, Dokholyan NV. Protein folding: then and now. Archives of Biochemistry and Biophysics. 469: 4-19. PMID 17585870 DOI: 10.1016/J.Abb.2007.05.014  0.804
2007 Khare SD, Dokholyan NV. Molecular mechanisms of polypeptide aggregation in human diseases. Current Protein & Peptide Science. 8: 573-9. PMID 18220844 DOI: 10.2174/138920307783018703  0.542
2007 Yin S, Ding F, Dokholyan NV. Modeling backbone flexibility improves protein stability estimation. Structure (London, England : 1993). 15: 1567-76. PMID 18073107 DOI: 10.1016/J.Str.2007.09.024  0.549
2007 Sharma S, Gong P, Temple B, Bhattacharyya D, Dokholyan NV, Chaney SG. Molecular dynamic simulations of cisplatin- and oxaliplatin-d(GG) intrastand cross-links reveal differences in their conformational dynamics. Journal of Molecular Biology. 373: 1123-40. PMID 17900616 DOI: 10.1016/J.Jmb.2007.07.079  0.461
2007 Lam AR, Borreguero JM, Ding F, Dokholyan NV, Buldyrev SV, Stanley HE, Shakhnovich E. Parallel folding pathways in the SH3 domain protein. Journal of Molecular Biology. 373: 1348-60. PMID 17900612 DOI: 10.1016/J.Jmb.2007.08.032  0.82
2007 Barton S, Jacak R, Khare SD, Ding F, Dokholyan NV. The length dependence of the polyQ-mediated protein aggregation. The Journal of Biological Chemistry. 282: 25487-92. PMID 17591778 DOI: 10.1074/Jbc.M701600200  0.669
2007 Chen Y, Campbell SL, Dokholyan NV. Deciphering protein dynamics from NMR data using explicit structure sampling and selection. Biophysical Journal. 93: 2300-6. PMID 17557784 DOI: 10.1529/Biophysj.107.104174  0.44
2007 Chen Y, Ding F, Dokholyan NV. Fidelity of the protein structure reconstruction from inter-residue proximity constraints. The Journal of Physical Chemistry. B. 111: 7432-8. PMID 17542631 DOI: 10.1021/Jp068963T  0.603
2007 Yin S, Ding F, Dokholyan NV. Eris: an automated estimator of protein stability. Nature Methods. 4: 466-7. PMID 17538626 DOI: 10.1038/Nmeth0607-466  0.472
2007 Sharma S, Ding F, Dokholyan NV. Multiscale modeling of nucleosome dynamics. Biophysical Journal. 92: 1457-70. PMID 17142268 DOI: 10.1529/Biophysj.106.094805  0.597
2007 Sharma S, Ding F, Dokholyan NV. Multiscalar nucleosome dynamics in silico ‐ Role of DNA and histone tails The Faseb Journal. 21. DOI: 10.1096/Fasebj.21.5.A282-C  0.555
2007 Chen Y, Dokholyan NV. A molecular switch ‐ insights into allosteric control of vinculin function from in‐silico study of its large‐scale conformational dynamics The Faseb Journal. 21. DOI: 10.1096/Fasebj.21.5.A270  0.36
2007 Podobnik B, Shao J, Dokholyan NV, Zlatic V, Eugene Stanley H, Grosse I. Similarity and dissimilarity in correlations of genomic DNA Physica a: Statistical Mechanics and Its Applications. 373: 497-502. DOI: 10.1016/J.Physa.2006.05.041  0.541
2006 Serohijos AW, Chen Y, Ding F, Elston TC, Dokholyan NV. A structural model reveals energy transduction in dynein. Proceedings of the National Academy of Sciences of the United States of America. 103: 18540-5. PMID 17121997 DOI: 10.1073/Pnas.0602867103  0.769
2006 Khare SD, Caplow M, Dokholyan NV. FALS mutations in Cu, Zn superoxide dismutase destabilize the dimer and increase dimer dissociation propensity: a large-scale thermodynamic analysis. Amyloid : the International Journal of Experimental and Clinical Investigation : the Official Journal of the International Society of Amyloidosis. 13: 226-35. PMID 17107883 DOI: 10.1080/13506120600960486  0.489
2006 Sharma S, Ding F, Nie H, Watson D, Unnithan A, Lopp J, Pozefsky D, Dokholyan NV. iFold: a platform for interactive folding simulations of proteins. Bioinformatics (Oxford, England). 22: 2693-4. PMID 16940324 DOI: 10.1093/Bioinformatics/Btl460  0.662
2006 Chen Y, Dokholyan NV. Insights into allosteric control of vinculin function from its large scale conformational dynamics. The Journal of Biological Chemistry. 281: 29148-54. PMID 16891659 DOI: 10.1074/Jbc.M605512200  0.441
2006 Ding F, Dokholyan NV. Emergence of protein fold families through rational design. Plos Computational Biology. 2: e85. PMID 16839198 DOI: 10.1371/Journal.Pcbi.0020085  0.526
2006 Chen Y, Dokholyan NV. The coordinated evolution of yeast proteins is constrained by functional modularity. Trends in Genetics : Tig. 22: 416-9. PMID 16797778 DOI: 10.1016/J.Tig.2006.06.008  0.401
2006 Bloom K, Sharma S, Dokholyan NV. The path of DNA in the kinetochore. Current Biology : Cb. 16: R276-8. PMID 16631569 DOI: 10.1016/J.Cub.2006.03.054  0.364
2006 Khare SD, Dokholyan NV. Common dynamical signatures of familial amyotrophic lateral sclerosis-associated structurally diverse Cu, Zn superoxide dismutase mutants. Proceedings of the National Academy of Sciences of the United States of America. 103: 3147-52. PMID 16488975 DOI: 10.1073/pnas.0511266103  0.522
2006 Demidov VV, Dokholyan NV, Witte-Hoffmann C, Chalasani P, Yiu HW, Ding F, Yu Y, Cantor CR, Broude NE. Fast complementation of split fluorescent protein triggered by DNA hybridization. Proceedings of the National Academy of Sciences of the United States of America. 103: 2052-6. PMID 16461889 DOI: 10.1073/Pnas.0511078103  0.479
2006 Ding F, Prutzman KC, Campbell SL, Dokholyan NV. Topological determinants of protein domain swapping. Structure (London, England : 1993). 14: 5-14. PMID 16407060 DOI: 10.1016/J.Str.2005.09.008  0.554
2006 Ding F, Dokholyan NV. Correction: Emergence of Protein Fold Families through Rational Design Plos Computational Biology. 2: e149. DOI: 10.1371/Journal.Pcbi.0020149  0.492
2005 Chen Y, Dokholyan NV. A single disulfide bond differentiates aggregation pathways of beta2-microglobulin. Journal of Molecular Biology. 354: 473-82. PMID 16242719 DOI: 10.1016/J.Jmb.2005.09.075  0.369
2005 Ding F, LaRocque JJ, Dokholyan NV. Direct observation of protein folding, aggregation, and a prion-like conformational conversion. The Journal of Biological Chemistry. 280: 40235-40. PMID 16204250 DOI: 10.1074/Jbc.M506372200  0.501
2005 Khare SD, Ding F, Gwanmesia KN, Dokholyan NV. Molecular origin of polyglutamine aggregation in neurodegenerative diseases. Plos Computational Biology. 1: 230-5. PMID 16158094 DOI: 10.1371/Journal.Pcbi.0010030  0.633
2005 Khare SD, Wilcox KC, Gong P, Dokholyan NV. Sequence and structural determinants of Cu, Zn superoxide dismutase aggregation. Proteins. 61: 617-32. PMID 16152647 DOI: 10.1002/Prot.20629  0.772
2005 Ding F, Dokholyan NV. Simple but predictive protein models. Trends in Biotechnology. 23: 450-5. PMID 16038997 DOI: 10.1016/J.Tibtech.2005.07.001  0.511
2005 Ding F, Jha RK, Dokholyan NV. Scaling behavior and structure of denatured proteins. Structure (London, England : 1993). 13: 1047-54. PMID 16004876 DOI: 10.1016/J.Str.2005.04.009  0.554
2005 Ding F, Guo W, Dokholyan NV, Shakhnovich EI, Shea JE. Reconstruction of the src-SH3 protein domain transition state ensemble using multiscale molecular dynamics simulations. Journal of Molecular Biology. 350: 1035-50. PMID 15982666 DOI: 10.1016/J.Jmb.2005.05.017  0.663
2005 Ding F, Buldyrev SV, Dokholyan NV. Folding Trp-cage to NMR resolution native structure using a coarse-grained protein model. Biophysical Journal. 88: 147-55. PMID 15533926 DOI: 10.1529/Biophysj.104.046375  0.565
2004 Dixon RD, Chen Y, Ding F, Khare SD, Prutzman KC, Schaller MD, Campbell SL, Dokholyan NV. New insights into FAK signaling and localization based on detection of a FAT domain folding intermediate. Structure (London, England : 1993). 12: 2161-71. PMID 15576030 DOI: 10.1016/J.Str.2004.09.011  0.69
2004 Khare SD, Caplow M, Dokholyan NV. The rate and equilibrium constants for a multistep reaction sequence for the aggregation of superoxide dismutase in amyotrophic lateral sclerosis. Proceedings of the National Academy of Sciences of the United States of America. 101: 15094-9. PMID 15475574 DOI: 10.1073/pnas.0406650101  0.451
2004 Urbanc B, Cruz L, Ding F, Sammond D, Khare S, Buldyrev SV, Stanley HE, Dokholyan NV. Molecular dynamics simulation of amyloid beta dimer formation. Biophysical Journal. 87: 2310-21. PMID 15454432 DOI: 10.1529/Biophysj.104.040980  0.701
2004 Tiana G, Dokholyan NV, Broglia RA, Shakhnovich EI. The evolution dynamics of model proteins. The Journal of Chemical Physics. 121: 2381-9. PMID 15260793 DOI: 10.1063/1.1768513  0.542
2004 Borreguero JM, Ding F, Buldyrev SV, Stanley HE, Dokholyan NV. Multiple folding pathways of the SH3 domain. Biophysical Journal. 87: 521-33. PMID 15240485 DOI: 10.1529/Biophysj.104.039529  0.789
2004 Peng S, Ding F, Urbanc B, Buldyrev SV, Cruz L, Stanley HE, Dokholyan NV. Discrete molecular dynamics simulations of peptide aggregation. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 69: 041908. PMID 15169044 DOI: 10.1103/Physreve.69.041908  0.67
2004 Khatun J, Khare SD, Dokholyan NV. Can contact potentials reliably predict stability of proteins? Journal of Molecular Biology. 336: 1223-38. PMID 15037081 DOI: 10.1016/j.jmb.2004.01.002  0.527
2004 Tiana G, Shakhnovich BE, Dokholyan NV, Shakhnovich EI. Imprint of evolution on protein structures. Proceedings of the National Academy of Sciences of the United States of America. 101: 2846-51. PMID 14970345 DOI: 10.1073/Pnas.0306638101  0.533
2003 Dokholyan NV, Borreguero JM, Buldyrev SV, Ding F, Stanley HE, Shakhnovich EI. Identifying importance of amino acids for protein folding from crystal structures. Methods in Enzymology. 374: 616-38. PMID 14696390 DOI: 10.1016/S0076-6879(03)74025-7  0.814
2003 Khare SD, Ding F, Dokholyan NV. Folding of Cu, Zn superoxide dismutase and familial amyotrophic lateral sclerosis. Journal of Molecular Biology. 334: 515-25. PMID 14623191 DOI: 10.1016/J.Jmb.2003.09.069  0.655
2003 Deeds EJ, Dokholyan NV, Shakhnovich EI. Protein evolution within a structural space. Biophysical Journal. 85: 2962-72. PMID 14581198 DOI: 10.1016/S0006-3495(03)74716-X  0.462
2003 Marqués MI, Borreguero JM, Stanley HE, Dokholyan NV. Possible mechanism for cold denaturation of proteins at high pressure. Physical Review Letters. 91: 138103. PMID 14525339 DOI: 10.1103/Physrevlett.91.138103  0.727
2003 Ding F, Borreguero JM, Buldyrey SV, Stanley HE, Dokholyan NV. Mechanism for the alpha-helix to beta-hairpin transition. Proteins. 53: 220-8. PMID 14517973 DOI: 10.1002/Prot.10468  0.769
2003 Pei J, Dokholyan NV, Shakhnovich EI, Grishin NV. Using protein design for homology detection and active site searches. Proceedings of the National Academy of Sciences of the United States of America. 100: 11361-6. PMID 12975528 DOI: 10.1073/Pnas.2034878100  0.439
2003 López E, Buldyrev SV, Dokholyan NV, Goldmakher L, Havlin S, King PR, Stanley HE. Postbreakthrough behavior in flow through porous media. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 67: 056314. PMID 12786279 DOI: 10.1103/Physreve.67.056314  0.566
2003 Shakhnovich BE, Dokholyan NV, DeLisi C, Shakhnovich EI. Functional fingerprints of folds: evidence for correlated structure-function evolution. Journal of Molecular Biology. 326: 1-9. PMID 12547186 DOI: 10.1016/S0022-2836(02)01362-1  0.446
2003 Buldyrev SV, Dokholyan NV, Erramilli S, Hong M, Kim JY, Malescio G, Stanley HE. Hierarchy in social organization Physica a: Statistical Mechanics and Its Applications. 330: 653-659. DOI: 10.1016/J.Physa.2003.09.041  0.4
2002 Ding F, Dokholyan NV, Buldyrev SV, Stanley HE, Shakhnovich EI. Direct molecular dynamics observation of protein folding transition state ensemble. Biophysical Journal. 83: 3525-32. PMID 12496119 DOI: 10.1016/S0006-3495(02)75352-6  0.733
2002 Ding F, Dokholyan NV, Buldyrev SV, Stanley HE, Shakhnovich EI. Molecular dynamics simulation of the SH3 domain aggregation suggests a generic amyloidogenesis mechanism. Journal of Molecular Biology. 324: 851-7. PMID 12460582 DOI: 10.1016/S0022-2836(02)01112-9  0.731
2002 Dokholyan NV, Shakhnovich B, Shakhnovich EI. Expanding protein universe and its origin from the biological Big Bang. Proceedings of the National Academy of Sciences of the United States of America. 99: 14132-6. PMID 12384571 DOI: 10.1073/Pnas.202497999  0.496
2002 Dokholyan NV, Li L, Ding F, Shakhnovich EI. Topological determinants of protein folding. Proceedings of the National Academy of Sciences of the United States of America. 99: 8637-41. PMID 12084924 DOI: 10.1073/Pnas.122076099  0.656
2002 Borreguero JM, Dokholyan NV, Buldyrev SV, Shakhnovich EI, Stanley HE. Thermodynamics and folding kinetics analysis of the SH3 domain form discrete molecular dynamics. Journal of Molecular Biology. 318: 863-76. PMID 12054829 DOI: 10.1016/S0022-2836(02)00136-5  0.8
2002 Dokholyan NV, Pitard E, Buldyrev SV, Stanley HE. Glassy behavior of a homopolymer from molecular dynamics simulations. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 65: 030801. PMID 11909019 DOI: 10.1103/Physreve.65.030801  0.442
2002 King PR, Buldyrev SV, Dokholyan NV, Havlin S, Lopez E, Paul G, Stanley HE. Using percolation theory to predict oil field performance Physica a: Statistical Mechanics and Its Applications. 314: 103-108. DOI: 10.1016/S0378-4371(02)01088-9  0.562
2002 Dokholyan NV, Mirny LA, Shakhnovich EI. Understanding conserved amino acids in proteins Physica a: Statistical Mechanics and Its Applications. 314: 600-606. DOI: 10.1016/S0378-4371(02)01079-8  0.467
2002 King PR, Buldyrev SV, Dokholyan NV, Havlin S, Lopez E, Paul G, Stanley HE. Uncertainty in oil production predicted by percolation theory Physica a: Statistical Mechanics and Its Applications. 306: 376-380. DOI: 10.1016/S0378-4371(02)00515-0  0.563
2001 Dokholyan NV, Shakhnovich EI. Understanding hierarchical protein evolution from first principles. Journal of Molecular Biology. 312: 289-307. PMID 11545603 DOI: 10.1006/Jmbi.2001.4949  0.508
2001 Scala A, Dokholyan NV, Buldyrev SV, Stanley HE. Thermodynamically important contacts in folding of model proteins. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 63: 032901. PMID 11308693 DOI: 10.1103/Physreve.63.032901  0.63
2001 King PR, Buldyrev SV, Dokholyan NV, Havlin S, Lee Y, Paul G, Stanley HE, Vandesteeg N. Predicting oil recovery using percolation theory Petroleum Geoscience. 7: S105-S107. DOI: 10.1144/Petgeo.7.S.S105  0.389
2000 Dokholyan NV, Buldyrev SV, Stanley HE, Shakhnovich EI. Identifying the protein folding nucleus using molecular dynamics. Journal of Molecular Biology. 296: 1183-8. PMID 10698625 DOI: 10.1006/Jmbi.1999.3534  0.663
2000 Dokholyan NV, Buldyrev SV, Havlin S, Stanley HE. Distributions of dimeric tandem repeats in non-coding and coding DNA sequences. Journal of Theoretical Biology. 202: 273-82. PMID 10666360 DOI: 10.1006/Jtbi.1999.1052  0.409
1999 Lee Y, Andrade JS, Buldyrev SV, Dokholyan NV, Havlin S, King PR, Paul G, Stanley HE. Traveling time and traveling length in critical percolation clusters. Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 60: 3425-8. PMID 11970164 DOI: 10.1103/Physreve.60.3425  0.387
1999 Stanley RH, Dokholyan NV, Buldyrev SV, Havlin S, Stanley HE. Clustering of identical oligomers in coding and noncoding DNA sequences. Journal of Biomolecular Structure & Dynamics. 17: 79-87. PMID 10496423 DOI: 10.1080/07391102.1999.10508342  0.385
1999 Buldyrev SV, Dokholyan NV, Havlin S, Stanley H, Stanley RH. Expansion of tandem repeats and oligomer clustering in coding and noncoding DNA sequences Physica a: Statistical Mechanics and Its Applications. 273: 19-32. DOI: 10.1016/S0378-4371(99)00338-6  0.393
1999 King P, Buldyrev S, Dokholyan N, Havlin S, Lee Y, Paul G, Stanley H. Applications of statistical physics to the oil industry: predicting oil recovery using percolation theory Physica a: Statistical Mechanics and Its Applications. 274: 60-66. DOI: 10.1016/S0378-4371(99)00327-1  0.393
1999 King PR, Jr. JS, Buldyrev SV, Dokholyan N, Lee Y, Havlin S, Stanley H. Predicting oil recovery using percolation Physica a: Statistical Mechanics and Its Applications. 266: 107-114. DOI: 10.1016/S0378-4371(98)00583-4  0.405
1999 Dokholyan NV, Buldyrev SV, Havlin S, King PR, Lee Y, Stanley H. Distribution of shortest paths in percolation Physica a: Statistical Mechanics and Its Applications. 266: 55-61. DOI: 10.1016/S0378-4371(98)00574-3  0.395
1998 Dokholyan NV, Buldyrev SV, Stanley HE, Shakhnovich EI. Discrete molecular dynamics studies of the folding of a protein-like model. Folding & Design. 3: 577-87. PMID 9889167 DOI: 10.1016/S1359-0278(98)00072-8  0.643
1998 Dokholyan NV, Lee Y, Buldyrev SV, Havlin S, King PR, Stanley HE. Scaling of the Distribution of Shortest Paths in Percolation Journal of Statistical Physics. 93: 603-613. DOI: 10.1023/B:Joss.0000033244.13545.Da  0.394
1998 Dokholyan NV, Buldyrev SV, Havlin S, Stanley H. Model of unequal chromosomal crossing over in DNA sequences Physica a: Statistical Mechanics and Its Applications. 249: 594-599. DOI: 10.1016/S0378-4371(97)00520-7  0.416
1998 Buldyrev S, Dokholyan N, Goldberger A, Havlin S, Peng C, Stanley H, Viswanathan G. Analysis of DNA sequences using methods of statistical physics Physica a: Statistical Mechanics and Its Applications. 249: 430-438. DOI: 10.1016/S0378-4371(97)00503-7  0.415
1997 Dokholyan NV, Buldyrev SV, Havlin S, Stanley HE. Distribution of Base Pair Repeats in Coding and Noncoding DNA Sequences Physical Review Letters. 79: 5182-5185. DOI: 10.1103/Physrevlett.79.5182  0.408
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