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Devarajan Thirumalai, Ph.D. - Publications

Affiliations: 
Chemistry and Biochemistry University of Maryland, College Park, College Park, MD 
Area:
biophysics and theoretical biochemistry
Website:
http://www.chem.umd.edu/devarajan-thirumalai/
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206 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
2020 Hathcock D, Tehver R, Hinczewski M, Thirumalai D. Myosin V executes steps of variable length via structurally constrained diffusion. Elife. 9. PMID 31939739 DOI: 10.7554/Elife.51569  0.589
2019 Thirumalai D, Hyeon C, Zhuravlev PI, Lorimer GH. Symmetry, Rigidity, and Allosteric Signaling: From Monomeric Proteins to Molecular Machines. Chemical Reviews. PMID 31017391 DOI: 10.1021/Acs.Chemrev.8B00760  0.579
2019 Baul U, Chakraborty D, Mugnai ML, Straub JE, Thirumalai D. Sequence Effects on Size, Shape, and Structural Heterogeneity in Intrinsically Disordered Proteins. The Journal of Physical Chemistry. B. PMID 30913885 DOI: 10.1021/Acs.Jpcb.9B02575  0.556
2019 Kirkpatrick TR, Thirumalai D, Wolynes PG. Scaling concepts for the dynamics of viscous liquids near an ideal glassy state. Physical Review. a, General Physics. 40: 1045-1054. PMID 9902230 DOI: 10.1103/Physreva.40.1045  0.466
2018 Liu L, Shi G, Thirumalai D, Hyeon C. Chain organization of human interphase chromosome determines the spatiotemporal dynamics of chromatin loci. Plos Computational Biology. 14: e1006617. PMID 30507936 DOI: 10.1371/Journal.Pcbi.1006617  0.512
2018 Shi G, Liu L, Hyeon C, Thirumalai D. Interphase human chromosome exhibits out of equilibrium glassy dynamics. Nature Communications. 9: 3161. PMID 30089831 DOI: 10.1038/S41467-018-05606-6  0.5
2018 Thirumalai D, Hyeon C. Signalling networks and dynamics of allosteric transitions in bacterial chaperonin GroEL: implications for iterative annealing of misfolded proteins. Philosophical Transactions of the Royal Society of London. Series B, Biological Sciences. 373. PMID 29735736 DOI: 10.1098/Rstb.2017.0182  0.554
2018 Pantelopulos GA, Straub JE, Thirumalai D, Sugita Y. Structure of APP-C99 and implications for role of extra-membrane domains in function and oligomerization. Biochimica Et Biophysica Acta. PMID 29702072 DOI: 10.1016/J.Bbamem.2018.04.002  0.492
2018 Liu Z, Thirumalai D. Denaturants Alter the Flux Through Multiple Pathways in the Folding of PDZ Domain. The Journal of Physical Chemistry. B. PMID 29303586 DOI: 10.1021/acs.jpcb.7b11408  0.307
2017 Samanta HS, Hinczewski M, Thirumalai D. Optimal information transfer in enzymatic networks: A field theoretic formulation. Physical Review. E. 96: 012406. PMID 29347079 DOI: 10.1103/Physreve.96.012406  0.567
2017 Chakrabarti S, Hyeon C, Ye X, Lorimer GH, Thirumalai D. Molecular chaperones maximize the native state yield on biological times by driving substrates out of equilibrium. Proceedings of the National Academy of Sciences of the United States of America. PMID 29217641 DOI: 10.1073/Pnas.1712962114  0.589
2017 Zhang Z, Goldtzvik Y, Thirumalai D. Parsing the roles of neck-linker docking and tethered head diffusion in the stepping dynamics of kinesin. Proceedings of the National Academy of Sciences of the United States of America. PMID 29087307 DOI: 10.1073/Pnas.1706014114  0.459
2017 Lee Y, Thirumalai D, Hyeon C. Ultrasensitivity of water exchange kinetics to the size of metal ion. Journal of the American Chemical Society. PMID 28853881 DOI: 10.1021/Jacs.7B04198  0.518
2017 Samanta HS, Zhuravlev PI, Hinczewski M, Hori N, Chakrabarti S, Thirumalai D. Protein collapse is encoded in the folded state architecture. Soft Matter. PMID 28447708 DOI: 10.1039/C7Sm00074J  0.639
2017 Hyeon C, Thirumalai D. Ripping RNA by Force Using Gaussian Network Models. The Journal of Physical Chemistry. B. 121: 3515-3522. PMID 28423909 DOI: 10.1021/Acs.Jpcb.6B09402  0.576
2017 Suvlu D, Samaratunga S, Thirumalai D, Rasaiah JC. Thermodynamics of Helix-Coil Transitions of Polyalanine in Open Carbon Nanotubes. The Journal of Physical Chemistry Letters. PMID 28060517 DOI: 10.1021/Acs.Jpclett.6B02620  0.603
2016 Vu HT, Chakrabarti S, Hinczewski M, Thirumalai D. Discrete Step Sizes of Molecular Motors Lead to Bimodal Non-Gaussian Velocity Distributions under Force. Physical Review Letters. 117: 078101. PMID 27564000 DOI: 10.1103/Physrevlett.117.078101  0.591
2016 Dominguez L, Foster L, Straub JE, Thirumalai D. Impact of membrane lipid composition on the structure and stability of the transmembrane domain of amyloid precursor protein. Proceedings of the National Academy of Sciences of the United States of America. PMID 27559086 DOI: 10.1073/Pnas.1606482113  0.501
2016 Hinczewski M, Hyeon C, Thirumalai D. Directly measuring single-molecule heterogeneity using force spectroscopy. Proceedings of the National Academy of Sciences of the United States of America. PMID 27317744 DOI: 10.1073/Pnas.1518389113  0.732
2016 Zhuravlev PI, Hinczewski M, Chakrabarti S, Marqusee S, Thirumalai D. Reply to Alberti: Are in vitro folding experiments relevant in vivo? Proceedings of the National Academy of Sciences of the United States of America. PMID 27226292 DOI: 10.1073/Pnas.1603395113  0.61
2016 Hinczewski M, Thirumalai D. Noise Control in Gene Regulatory Networks with Negative Feedback. The Journal of Physical Chemistry. B. 120: 6166-77. PMID 27095600 DOI: 10.1021/Acs.Jpcb.6B02093  0.548
2016 Chakrabarti S, Hinczewski M, Thirumalai D. Phenomenological and microscopic theories for catch bonds. Journal of Structural Biology. PMID 27046010 DOI: 10.1016/J.Jsb.2016.03.022  0.613
2016 Zhuravlev PI, Hinczewski M, Chakrabarti S, Marqusee S, Thirumalai D. Force-dependent switch in protein unfolding pathways and transition-state movements. Proceedings of the National Academy of Sciences of the United States of America. PMID 26818842 DOI: 10.1073/Pnas.1515730113  0.641
2015 Goldtzvik Y, Zhang Z, Thirumalai D. On the importance of hydrodynamic interactions in the stepping kinetics of kinesin. The Journal of Physical Chemistry. B. PMID 26702870 DOI: 10.1021/Acs.Jpcb.5B11153  0.484
2015 Kang H, Yoon YG, Thirumalai D, Hyeon C. Confinement-Induced Glassy Dynamics in a Model for Chromosome Organization. Physical Review Letters. 115: 198102. PMID 26588418 DOI: 10.1103/Physrevlett.115.198102  0.513
2015 Kang H, Toan NM, Hyeon C, Thirumalai D. Unexpected Swelling of Stiff DNA in a Polydisperse Crowded Environment. Journal of the American Chemical Society. 137: 10970-8. PMID 26267166 DOI: 10.1021/Jacs.5B04531  0.525
2015 Lin JC, Yoon J, Hyeon C, Thirumalai D. Using simulations and kinetic network models to reveal the dynamics and functions of riboswitches. Methods in Enzymology. 553: 235-58. PMID 25726468 DOI: 10.1016/Bs.Mie.2014.10.062  0.632
2015 Kang H, Pincus PA, Hyeon C, Thirumalai D. Effects of macromolecular crowding on the collapse of biopolymers. Physical Review Letters. 114: 068303. PMID 25723249 DOI: 10.1103/Physrevlett.114.068303  0.528
2014 Straub JE, Thirumalai D. Membrane-Protein Interactions Are Key to Understanding Amyloid Formation. The Journal of Physical Chemistry Letters. 5: 633-5. PMID 26276620 DOI: 10.1021/Jz500054D  0.479
2014 Vaitheeswaran S, Thirumalai D. Entropy and enthalpy of interaction between amino acid side chains in nanopores. The Journal of Chemical Physics. 141: 22D523. PMID 25494794 DOI: 10.1063/1.4901204  0.375
2014 Thirumalai D. Universal relations in the self-assembly of proteins and RNA. Physical Biology. 11: 053005. PMID 25292483 DOI: 10.1088/1478-3975/11/5/053005  0.315
2014 Ramm B, Stigler J, Hinczewski M, Thirumalai D, Herrmann H, Woehlke G, Rief M. Sequence-resolved free energy profiles of stress-bearing vimentin intermediate filaments. Proceedings of the National Academy of Sciences of the United States of America. 111: 11359-64. PMID 25049381 DOI: 10.1073/Pnas.1403122111  0.622
2014 Chakrabarti S, Hinczewski M, Thirumalai D. Plasticity of hydrogen bond networks regulates mechanochemistry of cell adhesion complexes. Proceedings of the National Academy of Sciences of the United States of America. 111: 9048-53. PMID 24927549 DOI: 10.1073/Pnas.1405384111  0.62
2014 Dominguez L, Foster L, Meredith SC, Straub JE, Thirumalai D. Structural heterogeneity in transmembrane amyloid precursor protein homodimer is a consequence of environmental selection. Journal of the American Chemical Society. 136: 9619-26. PMID 24926593 DOI: 10.1021/Ja503150X  0.585
2014 Zhuravlev PI, Reddy G, Straub JE, Thirumalai D. Propensity to form amyloid fibrils is encoded as excitations in the free energy landscape of monomeric proteins. Journal of Molecular Biology. 426: 2653-66. PMID 24846645 DOI: 10.1016/J.Jmb.2014.05.007  0.598
2014 Yoon J, Lin JC, Hyeon C, Thirumalai D. Dynamical transition and heterogeneous hydration dynamics in RNA. The Journal of Physical Chemistry. B. 118: 7910-9. PMID 24762118 DOI: 10.1021/Jp500643U  0.606
2014 Hyeon C, Hinczewski M, Thirumalai D. Evidence of disorder in biological molecules from single molecule pulling experiments. Physical Review Letters. 112: 138101. PMID 24745458 DOI: 10.1103/Physrevlett.112.138101  0.709
2014 Lin JC, Hyeon C, Thirumalai D. Sequence-dependent folding landscapes of adenine riboswitch aptamers. Physical Chemistry Chemical Physics : Pccp. 16: 6376-82. PMID 24366448 DOI: 10.1039/C3Cp53932F  0.579
2014 Dominguez L, Meredith SC, Straub JE, Thirumalai D. Transmembrane fragment structures of amyloid precursor protein depend on membrane surface curvature. Journal of the American Chemical Society. 136: 854-7. PMID 24364734 DOI: 10.1021/Ja410958J  0.502
2014 Hinczewski M, Thirumalai D. Cellular signaling networks function as generalized Wiener-Kolmogorov filters to suppress noise Physical Review X. 4. DOI: 10.1103/Physrevx.4.041017  0.575
2014 Straub JE, Thirumalai D. Membrane-protein interactions are key to understanding amyloid formation Journal of Physical Chemistry Letters. 5: 633-635. DOI: 10.1021/jz500054d  0.479
2014 Holehouse AS, Lyle N, Vitalis A, Thirumalai D, Pappu RV. Parsing the Contributions of Polypeptide Backbones and Sidechains to Denaturation in Concentrated Aqueous Solutions of Urea and Guanidinium Chloride Biophysical Journal. 106: 484a. DOI: 10.1016/J.Bpj.2013.11.2731  0.337
2014 Hyeon C, Denesyuk NA, Thirumalai D. Development and applications of coarse-grained models for RNA Israel Journal of Chemistry. DOI: 10.1002/Ijch.201400029  0.624
2013 Hinczewski M, Tehver R, Thirumalai D. Design principles governing the motility of myosin V. Proceedings of the National Academy of Sciences of the United States of America. 110: E4059-68. PMID 24101499 DOI: 10.1073/Pnas.1312393110  0.589
2013 Hyeon C, Thirumalai D. Generalized iterative annealing model for the action of RNA chaperones. The Journal of Chemical Physics. 139: 121924. PMID 24089736 DOI: 10.1063/1.4818594  0.626
2013 Lin JC, Thirumalai D. Kinetics of allosteric transitions in S-adenosylmethionine riboswitch are accurately predicted from the folding landscape. Journal of the American Chemical Society. 135: 16641-50. PMID 24087850 DOI: 10.1021/Ja408595E  0.384
2013 Denning EJ, Thirumalai D, MacKerell AD. Protonation of trimethylamine N-oxide (TMAO) is required for stabilization of RNA tertiary structure. Biophysical Chemistry. 184: 8-16. PMID 24012912 DOI: 10.1016/J.Bpc.2013.08.002  0.342
2013 Yoon J, Thirumalai D, Hyeon C. Urea-induced denaturation of preQ1-riboswitch. Journal of the American Chemical Society. 135: 12112-21. PMID 23863126 DOI: 10.1021/Ja406019S  0.634
2013 Hinczewski M, Gebhardt JC, Rief M, Thirumalai D. From mechanical folding trajectories to intrinsic energy landscapes of biopolymers. Proceedings of the National Academy of Sciences of the United States of America. 110: 4500-5. PMID 23487746 DOI: 10.1073/Pnas.1214051110  0.668
2013 Hinczewski M, Tehver R, Thirumalai D. Searching, Stepping, and Stomping: What Polymer Theory can teach us about the Molecular Motor Myosin V Biophysical Journal. 104. DOI: 10.1016/J.Bpj.2012.11.3553  0.629
2012 Lin JC, Hyeon C, Thirumalai D. RNA under tension: Folding Landscapes, Kinetic partitioning Mechanism, and Molecular Tensegrity. The Journal of Physical Chemistry Letters. 3: 3616-3625. PMID 23336034 DOI: 10.1021/Jz301537T  0.619
2012 Hyeon C, Lee J, Yoon J, Hohng S, Thirumalai D. Hidden complexity in the isomerization dynamics of Holliday junctions. Nature Chemistry. 4: 907-14. PMID 23089865 DOI: 10.1038/Nchem.1463  0.572
2012 Hyeon C, Thirumalai D. Multiple barriers in forced rupture of protein complexes. The Journal of Chemical Physics. 137: 055103. PMID 22894385 DOI: 10.1063/1.4739747  0.552
2012 Toan NM, Thirumalai D. On the origin of the unusual behavior in the stretching of single-stranded DNA. The Journal of Chemical Physics. 136: 235103. PMID 22779622 DOI: 10.1063/1.4729371  0.311
2012 Reddy G, Liu Z, Thirumalai D. Denaturant-dependent folding of GFP. Proceedings of the National Academy of Sciences of the United States of America. 109: 17832-8. PMID 22778437 DOI: 10.1073/Pnas.1201808109  0.307
2012 Koculi E, Cho SS, Desai R, Thirumalai D, Woodson SA. Folding path of P5abc RNA involves direct coupling of secondary and tertiary structures. Nucleic Acids Research. 40: 8011-20. PMID 22641849 DOI: 10.1093/Nar/Gks468  0.554
2012 Kudlay A, Cheung MS, Thirumalai D. Influence of the shape of crowding particles on the structural transitions in a polymer. The Journal of Physical Chemistry. B. 116: 8513-22. PMID 22616622 DOI: 10.1021/Jp212535N  0.563
2012 Liu Z, Reddy G, Thirumalai D. Theory of the molecular transfer model for proteins with applications to the folding of the src-SH3 domain. The Journal of Physical Chemistry. B. 116: 6707-16. PMID 22497652 DOI: 10.1021/Jp211941B  0.356
2012 Zhang Z, Thirumalai D. Dissecting the kinematics of the kinesin step. Structure (London, England : 1993). 20: 628-40. PMID 22483110 DOI: 10.1016/J.Str.2012.02.013  0.494
2012 Hyeon C, Thirumalai D. Chain length determines the folding rates of RNA. Biophysical Journal. 102: L11-3. PMID 22325296 DOI: 10.1016/J.Bpj.2012.01.003  0.561
2012 Thirumalai D, Reddy G, Straub JE. Role of water in protein aggregation and amyloid polymorphism. Accounts of Chemical Research. 45: 83-92. PMID 21761818 DOI: 10.1021/Ar2000869  0.545
2012 Denning E, Thirumalai D, MacKerell AD. Impact of TMAO on the preQ1 RNA Riboswitch Studied using Molecular Dynamics Simulations Biophysical Journal. 102. DOI: 10.1016/J.Bpj.2011.11.1529  0.37
2011 Biyun S, Cho SS, Thirumalai D. Folding of human telomerase RNA pseudoknot using ion-jump and temperature-quench simulations. Journal of the American Chemical Society. 133: 20634-43. PMID 22082261 DOI: 10.1021/Ja2092823  0.564
2011 Cho SS, Reddy G, Straub JE, Thirumalai D. Entropic stabilization of proteins by TMAO. The Journal of Physical Chemistry. B. 115: 13401-7. PMID 21985427 DOI: 10.1021/Jp207289B  0.68
2011 Hyeon C, Thirumalai D. Capturing the essence of folding and functions of biomolecules using coarse-grained models. Nature Communications. 2: 487. PMID 21952221 DOI: 10.1038/Ncomms1481  0.564
2011 O'Brien EP, Straub JE, Brooks BR, Thirumalai D. Influence of Nanoparticle Size and Shape on Oligomer Formation of an Amyloidogenic Peptide. The Journal of Physical Chemistry Letters. 2: 1171-1177. PMID 21691423 DOI: 10.1021/Jz200330K  0.491
2011 Morrison G, Hyeon C, Hinczewski M, Thirumalai D. Compaction and tensile forces determine the accuracy of folding landscape parameters from single molecule pulling experiments. Physical Review Letters. 106: 138102. PMID 21517423 DOI: 10.1103/Physrevlett.106.138102  0.796
2011 Liu Z, Reddy G, O'Brien EP, Thirumalai D. Collapse kinetics and chevron plots from simulations of denaturant-dependent folding of globular proteins. Proceedings of the National Academy of Sciences of the United States of America. 108: 7787-92. PMID 21512127 DOI: 10.1073/Pnas.1019500108  0.314
2011 Xia F, Thirumalai D, Gräter F. Minimum energy compact structures in force-quench polyubiquitin folding are domain swapped. Proceedings of the National Academy of Sciences of the United States of America. 108: 6963-8. PMID 21482804 DOI: 10.1073/Pnas.1018177108  0.598
2011 Straub JE, Thirumalai D. Toward a molecular theory of early and late events in monomer to amyloid fibril formation. Annual Review of Physical Chemistry. 62: 437-63. PMID 21219143 DOI: 10.1146/Annurev-Physchem-032210-103526  0.553
2011 Patro R, Ip CY, Bista S, Thirumalai D, Cho SS, Varshney A. MDMap: A system for data-driven layout and exploration of molecular dynamics simulations Ieee Symposium On Biological Data Visualization 2011, Biovis 2011 - Proceedings. 111-118. DOI: 10.1109/BioVis.2011.6094055  0.483
2011 Thirumalai D. Crowding Induced Conformational Switch Biophysical Journal. 100. DOI: 10.1016/J.Bpj.2010.12.240  0.319
2011 Vaitheeswaran S, Chen J, Thirumalai D. Hydrophobic and Ionic-Interactions in Bulk and Confined Water with Implications for Collapse and Folding of Proteins Journal of Statistical Physics. 145: 276-292. DOI: 10.1007/S10955-011-0313-9  0.37
2010 Li MS, Co NT, Reddy G, Hu CK, Straub JE, Thirumalai D. Factors governing fibrillogenesis of polypeptide chains revealed by lattice models. Physical Review Letters. 105: 218101. PMID 21231356 DOI: 10.1103/Physrevlett.105.218101  0.518
2010 Reddy G, Straub JE, Thirumalai D. Dry amyloid fibril assembly in a yeast prion peptide is mediated by long-lived structures containing water wires. Proceedings of the National Academy of Sciences of the United States of America. 107: 21459-64. PMID 21098298 DOI: 10.1073/Pnas.1008616107  0.523
2010 Thirumalai D, Zhang Z. Myosin VI: how do charged tails exert control? Structure (London, England : 1993). 18: 1393-4. PMID 21070937 DOI: 10.1016/J.Str.2010.10.004  0.465
2010 Thirumalai D, O'Brien EP, Morrison G, Hyeon C. Theoretical perspectives on protein folding. Annual Review of Biophysics. 39: 159-83. PMID 20192765 DOI: 10.1146/Annurev-Biophys-051309-103835  0.704
2010 Straub JE, Thirumalai D. Principles governing oligomer formation in amyloidogenic peptides. Current Opinion in Structural Biology. 20: 187-95. PMID 20106655 DOI: 10.1016/J.Sbi.2009.12.017  0.577
2010 Toan NM, Thirumalai D. Theory of biopolymer stretching at high forces Macromolecules. 43: 4394-4400. DOI: 10.1021/Ma902008Y  0.318
2009 Miyashita N, Straub JE, Thirumalai D. Structures of beta-amyloid peptide 1-40, 1-42, and 1-55-the 672-726 fragment of APP-in a membrane environment with implications for interactions with gamma-secretase. Journal of the American Chemical Society. 131: 17843-52. PMID 19995075 DOI: 10.1021/Ja905457D  0.483
2009 Priyakumar UD, Hyeon C, Thirumalai D, Mackerell AD. Urea destabilizes RNA by forming stacking interactions and multiple hydrogen bonds with nucleic acid bases. Journal of the American Chemical Society. 131: 17759-61. PMID 19919063 DOI: 10.1021/Ja905795V  0.558
2009 Hyeon C, Morrison G, Pincus DL, Thirumalai D. Refolding dynamics of stretched biopolymers upon force quench. Proceedings of the National Academy of Sciences of the United States of America. 106: 20288-93. PMID 19915145 DOI: 10.1073/Pnas.0905764106  0.678
2009 O'Brien EP, Okamoto Y, Straub JE, Brooks BR, Thirumalai D. Thermodynamic perspective on the dock-lock growth mechanism of amyloid fibrils. The Journal of Physical Chemistry. B. 113: 14421-30. PMID 19813700 DOI: 10.1021/Jp9050098  0.53
2009 Cho SS, Pincus DL, Thirumalai D. Assembly mechanisms of RNA pseudoknots are determined by the stabilities of constituent secondary structures. Proceedings of the National Academy of Sciences of the United States of America. 106: 17349-54. PMID 19805055 DOI: 10.1016/J.Bpj.2009.12.2573  0.572
2009 Moghaddam S, Caliskan G, Chauhan S, Hyeon C, Briber RM, Thirumalai D, Woodson SA. Metal ion dependence of cooperative collapse transitions in RNA. Journal of Molecular Biology. 393: 753-64. PMID 19712681 DOI: 10.1016/J.Jmb.2009.08.044  0.542
2009 Reddy G, Straub JE, Thirumalai D. Dynamics of locking of peptides onto growing amyloid fibrils. Proceedings of the National Academy of Sciences of the United States of America. 106: 11948-53. PMID 19581575 DOI: 10.1073/Pnas.0902473106  0.515
2009 Rivera E, Straub J, Thirumalai D. Sequence and crowding effects in the aggregation of a 10-residue fragment derived from islet amyloid polypeptide. Biophysical Journal. 96: 4552-60. PMID 19486677 DOI: 10.1016/J.Bpj.2009.03.039  0.513
2009 Kudlay A, Cheung MS, Thirumalai D. Crowding effects on the structural transitions in a flexible helical homopolymer. Physical Review Letters. 102: 118101. PMID 19392239 DOI: 10.1103/Physrevlett.102.118101  0.567
2009 O'Brien EP, Morrison G, Brooks BR, Thirumalai D. How accurate are polymer models in the analysis of Förster resonance energy transfer experiments on proteins? The Journal of Chemical Physics. 130: 124903. PMID 19334885 DOI: 10.1063/1.3082151  0.503
2009 Vaitheeswaran S, Reddy G, Thirumalai D. Water-mediated interactions between hydrophobic and ionic species in cylindrical nanopores. The Journal of Chemical Physics. 130: 094502. PMID 19275404 DOI: 10.1063/1.3080720  0.301
2009 Miyashita N, Straub JE, Thirumalai D, Sugita Y. Transmembrane structures of amyloid precursor protein dimer predicted by replica-exchange molecular dynamics simulations. Journal of the American Chemical Society. 131: 3438-9. PMID 19275251 DOI: 10.1021/Ja809227C  0.506
2009 Morrison G, Thirumalai D. Semiflexible chains in confined spaces. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 79: 011924. PMID 19257086 DOI: 10.1103/PhysRevE.79.011924  0.519
2009 Reddy G, Straub JE, Thirumalai D. Influence of preformed Asp23-Lys28 salt bridge on the conformational fluctuations of monomers and dimers of Abeta peptides with implications for rates of fibril formation. The Journal of Physical Chemistry. B. 113: 1162-72. PMID 19125574 DOI: 10.1021/Jp808914C  0.545
2009 Cho S, Thirumalai D. TMAO and Solvent Exposed RNA Bases Stabilizes Unfolded State via Hydrogen Bonding Biophysical Journal. 96: 576a. DOI: 10.1016/J.Bpj.2008.12.3009  0.579
2009 Valone SM, Thirumalai D, Truhlar DG. Dispersion-equation approach to obtaining complex optical potentials for electron scattering International Journal of Quantum Chemistry. 20: 341-353. DOI: 10.1002/Qua.560200836  0.377
2008 Pincus DL, Cho SS, Hyeon C, Thirumalai D. Minimal models for proteins and RNA from folding to function. Progress in Molecular Biology and Translational Science. 84: 203-50. PMID 19121703 DOI: 10.1016/S0079-6603(08)00406-6  0.697
2008 Li MS, Klimov DK, Straub JE, Thirumalai D. Probing the mechanisms of fibril formation using lattice models. The Journal of Chemical Physics. 129: 175101. PMID 19045373 DOI: 10.1063/1.2989981  0.536
2008 Vaitheeswaran S, Thirumalai D. Interactions between amino acid side chains in cylindrical hydrophobic nanopores with applications to peptide stability. Proceedings of the National Academy of Sciences of the United States of America. 105: 17636-41. PMID 19004772 DOI: 10.1073/Pnas.0803990105  0.381
2008 Hua L, Zhou R, Thirumalai D, Berne BJ. Urea denaturation by stronger dispersion interactions with proteins than water implies a 2-stage unfolding. Proceedings of the National Academy of Sciences of the United States of America. 105: 16928-33. PMID 18957546 DOI: 10.1073/Pnas.0808427105  0.787
2008 Lin JC, Thirumalai D. Relative stability of helices determines the folding landscape of adenine riboswitch aptamers. Journal of the American Chemical Society. 130: 14080-1. PMID 18828635 DOI: 10.1021/Ja8063638  0.406
2008 Barsegov V, Morrison G, Thirumalai D. Role of internal chain dynamics on the rupture kinetic of adhesive contacts. Physical Review Letters. 100: 248102. PMID 18643632 DOI: 10.1103/Physrevlett.100.248102  0.496
2008 Hyeon C, Morrison G, Thirumalai D. Force-dependent hopping rates of RNA hairpins can be estimated from accurate measurement of the folding landscapes. Proceedings of the National Academy of Sciences of the United States of America. 105: 9604-9. PMID 18621721 DOI: 10.1073/Pnas.0802484105  0.696
2008 Tarus B, Straub JE, Thirumalai D. Structures and free-energy landscapes of the wild type and mutants of the Abeta(21-30) peptide are determined by an interplay between intrapeptide electrostatic and hydrophobic interactions. Journal of Molecular Biology. 379: 815-29. PMID 18479708 DOI: 10.1016/J.Jmb.2008.04.028  0.574
2008 Pincus DL, Hyeon C, Thirumalai D. Effects of trimethylamine N-oxide (TMAO) and crowding agents on the stability of RNA hairpins. Journal of the American Chemical Society. 130: 7364-72. PMID 18479134 DOI: 10.1021/Ja078326W  0.558
2008 Toan NM, Morrison G, Hyeon C, Thirumalai D. Kinetics of loop formation in polymer chains. The Journal of Physical Chemistry. B. 112: 6094-106. PMID 18269274 DOI: 10.1021/Jp076510Y  0.672
2008 Hyeon C, Thirumalai D. Multiple probes are required to explore and control the rugged energy landscape of RNA hairpins. Journal of the American Chemical Society. 130: 1538-9. PMID 18186635 DOI: 10.1021/Ja0771641  0.622
2008 Buchete NV, Straub JE, Thirumalai D. Dissecting contact potentials for proteins: relative contributions of individual amino acids. Proteins. 70: 119-30. PMID 17640067 DOI: 10.1002/Prot.21538  0.521
2007 Mickler M, Dima RI, Dietz H, Hyeon C, Thirumalai D, Rief M. Revealing the bifurcation in the unfolding pathways of GFP by using single-molecule experiments and simulations. Proceedings of the National Academy of Sciences of the United States of America. 104: 20268-73. PMID 18079292 DOI: 10.1073/Pnas.0705458104  0.601
2007 Chen J, Dima RI, Thirumalai D. Allosteric communication in dihydrofolate reductase: signaling network and pathways for closed to occluded transition and back. Journal of Molecular Biology. 374: 250-66. PMID 17916364 DOI: 10.1016/J.Jmb.2007.08.047  0.326
2007 Cheung MS, Thirumalai D. Effects of crowding and confinement on the structures of the transition state ensemble in proteins. The Journal of Physical Chemistry. B. 111: 8250-7. PMID 17585794 DOI: 10.1021/Jp068201Y  0.609
2007 Stan G, Lorimer GH, Thirumalai D, Brooks BR. Coupling between allosteric transitions in GroEL and assisted folding of a substrate protein Proceedings of the National Academy of Sciences of the United States of America. 104: 8803-8808. PMID 17496143 DOI: 10.1073/Pnas.0700607104  0.343
2007 Koculi E, Hyeon C, Thirumalai D, Woodson SA. Charge density of divalent metal cations determines RNA stability. Journal of the American Chemical Society. 129: 2676-82. PMID 17295487 DOI: 10.1021/Ja068027R  0.552
2007 Nguyen PH, Li MS, Stock G, Straub JE, Thirumalai D. Monomer adds to preformed structured oligomers of Abeta-peptides by a two-stage dock-lock mechanism. Proceedings of the National Academy of Sciences of the United States of America. 104: 111-6. PMID 17190811 DOI: 10.1073/Pnas.0607440104  0.574
2007 Hyeon C, Thirumalai D. Mechanical unfolding of RNA: From hairpins to structures with internal multiloops Biophysical Journal. 92: 731-743. PMID 17028142 DOI: 10.1529/Biophysj.106.093062  0.639
2007 Hyeon C, Thirumalai D. Measuring the energy landscape roughness and the transition state location of biomolecules using single molecule mechanical unfolding experiments Journal of Physics Condensed Matter. 19. DOI: 10.1088/0953-8984/19/11/113101  0.634
2007 Morrison G, Hyeon C, Toan NM, Ha BY, Thirumalai D. Stretching homopolymers Macromolecules. 40: 7343-7353. DOI: 10.1021/ma071117b  0.479
2006 Tarus B, Straub JE, Thirumalai D. Dynamics of Asp23-Lys28 salt-bridge formation in Abeta10-35 monomers. Journal of the American Chemical Society. 128: 16159-68. PMID 17165769 DOI: 10.1021/Ja064872Y  0.561
2006 Hyeon C, Lorimer GH, Thirumalai D. Dynamics of allosteric transitions in GroEL Proceedings of the National Academy of Sciences of the United States of America. 103: 18939-18944. PMID 17135353 DOI: 10.1073/Pnas.0608759103  0.528
2006 Hyeon C, Dima RI, Thirumalai D. Size, shape, and flexibility of RNA structures Journal of Chemical Physics. 125. PMID 17129165 DOI: 10.1063/1.2364190  0.57
2006 Hyeon C, Dima RI, Thirumalai D. Pathways and Kinetic Barriers in Mechanical Unfolding and Refolding of RNA and Proteins Structure. 14: 1633-1645. PMID 17098189 DOI: 10.1016/J.Str.2006.09.002  0.584
2006 Koculi E, Thirumalai D, Woodson SA. Counterion charge density determines the position and plasticity of RNA folding transition states. Journal of Molecular Biology. 359: 446-54. PMID 16626736 DOI: 10.1016/J.Jmb.2006.03.031  0.341
2006 Hyeon C, Thirumalai D. Kinetics of interior loop formation in semiflexible chains Journal of Chemical Physics. 124. PMID 16542102 DOI: 10.1063/1.2178805  0.573
2006 Barsegov V, Klimov DK, Thirumalai D. Mapping the energy landscape of biomolecules using single molecule force correlation spectroscopy: Theory and applications Biophysical Journal. 90: 3827-3841. PMID 16533852 DOI: 10.1529/Biophysj.105.075937  0.361
2006 Hyeon C, Thirumalai D. Forced-unfolding and force-quench refolding of RNA hairpins Biophysical Journal. 90: 3410-3427. PMID 16473903 DOI: 10.1529/Biophysj.105.078030  0.593
2006 Cheung MS, Thirumalai D. Nanopore-protein interactions dramatically alter stability and yield of the native state in restricted spaces. Journal of Molecular Biology. 357: 632-43. PMID 16427652 DOI: 10.1016/J.Jmb.2005.12.048  0.588
2006 Li MS, Hu CK, Klimov DK, Thirumalai D. Multiple stepwise refolding of immunoglobulin domain I27 upon force quench depends on initial conditions. Proceedings of the National Academy of Sciences of the United States of America. 103: 93-8. PMID 16373511 DOI: 10.1073/Pnas.0503758103  0.395
2005 Caliskan G, Hyeon C, Perez-Salas U, Briber RM, Woodson SA, Thirumalai D. Persistence length changes dramatically as RNA folds. Physical Review Letters. 95: 268303. PMID 16486414 DOI: 10.1103/Physrevlett.95.268303  0.524
2005 Klimov DK, Thirumalai D. Symmetric connectivity of secondary structure elements enhances the diversity of folding pathways Journal of Molecular Biology. 353: 1171-1186. PMID 16219323 DOI: 10.1016/J.Jmb.2005.09.029  0.302
2005 Morrison G, Thirumalai D. The shape of a flexible polymer in a cylindrical pore The Journal of Chemical Physics. 122: 194907. PMID 16161617 DOI: 10.1063/1.1903923  0.449
2005 Zheng W, Brooks BR, Doniach S, Thirumalai D. Network of dynamically important residues in the open/closed transition in polymerases is strongly conserved. Structure (London, England : 1993). 13: 565-77. PMID 15837195 DOI: 10.1016/J.Str.2005.01.017  0.329
2005 Thirumalai D, Hyeon C. RNA and protein folding: Common themes and variations Biochemistry. 44: 4957-4970. PMID 15794634 DOI: 10.1021/Bi047314+  0.596
2005 Cheung MS, Klimov D, Thirumalai D. Molecular crowding enhances native state stability and refolding rates of globular proteins. Proceedings of the National Academy of Sciences of the United States of America. 102: 4753-8. PMID 15781864 DOI: 10.1073/Pnas.0409630102  0.565
2005 Hyeon C, Thirumalai D. Mechanical unfolding of RNA hairpins Proceedings of the National Academy of Sciences of the United States of America. 102: 6789-6794. PMID 15749822 DOI: 10.1073/Pnas.0408314102  0.596
2005 Dima RI, Hyeon C, Thirumalai D. Extracting stacking interaction parameters for RNA from the data set of native structures Journal of Molecular Biology. 347: 53-69. PMID 15733917 DOI: 10.1016/J.Jmb.2004.12.012  0.57
2005 Tarus B, Straub JE, Thirumalai D. Probing the initial stage of aggregation of the Abeta(10-35)-protein: assessing the propensity for peptide dimerization. Journal of Molecular Biology. 345: 1141-56. PMID 15644211 DOI: 10.1016/J.Jmb.2004.11.022  0.532
2004 Klimov DK, Straub JE, Thirumalai D. Aqueous urea solution destabilizes Abeta(16-22) oligomers. Proceedings of the National Academy of Sciences of the United States of America. 101: 14760-5. PMID 15465917 DOI: 10.1073/Pnas.0404570101  0.516
2004 Koculi E, Lee NK, Thirumalai D, Woodson SA. Folding of the Tetrahymena ribozyme by polyamines: importance of counterion valence and size. Journal of Molecular Biology. 341: 27-36. PMID 15312760 DOI: 10.1016/J.Jmb.2004.06.008  0.387
2004 Buchete NV, Straub JE, Thirumalai D. Continuous anisotropic representation of coarse-grained potentials for proteins by spherical harmonics synthesis. Journal of Molecular Graphics & Modelling. 22: 441-50. PMID 15099839 DOI: 10.1016/J.Jmgm.2003.12.010  0.565
2004 Buchete NV, Straub JE, Thirumalai D. Development of novel statistical potentials for protein fold recognition. Current Opinion in Structural Biology. 14: 225-32. PMID 15093838 DOI: 10.1016/j.sbi.2004.03.002  0.539
2004 Dima RI, Thirumalai D. Proteins associated with diseases show enhanced sequence correlation between charged residues Bioinformatics. 20: 2345-2354. PMID 15073020 DOI: 10.1093/Bioinformatics/Bth245  0.336
2004 Buchete NV, Straub JE, Thirumalai D. Orientational potentials extracted from protein structures improve native fold recognition. Protein Science : a Publication of the Protein Society. 13: 862-74. PMID 15044723 DOI: 10.1110/Ps.03488704  0.597
2004 Buchete NV, Straub JE, Thirumalai D. Orientation-dependent coarse-grained potentials derived by statistical analysis of molecular structural databases Polymer. 45: 597-608. DOI: 10.1016/J.Polymer.2003.10.093  0.605
2003 Thirumalai D, Klimov DK, Lorimer GH. Caging helps proteins fold Proceedings of the National Academy of Sciences of the United States of America. 100: 11195-11197. PMID 14506295 DOI: 10.1073/Pnas.2035072100  0.383
2003 Hyeon C, Thirumalai D. Can energy landscape roughness of proteins and RNA be measured by using mechanical unfolding experiments? Proceedings of the National Academy of Sciences of the United States of America. 100: 10249-53. PMID 12934020 DOI: 10.1073/Pnas.1833310100  0.614
2003 Tobi D, Elber R, Thirumalai D. The dominant interaction between peptide and urea is electrostatic in nature: a molecular dynamics simulation study. Biopolymers. 68: 359-69. PMID 12601795 DOI: 10.1002/Bip.10290  0.335
2003 Mountain RD, Thirumalai D. Molecular dynamics simulations of end-to-end contact formation in hydrocarbon chains in water and aqueous urea solution. Journal of the American Chemical Society. 125: 1950-7. PMID 12580622 DOI: 10.1021/Ja020496F  0.334
2003 Buchete NV, Straub JE, Thirumalai D. Anisotropic coarse-grained statistical potentials improve the ability to identify nativelike protein structures Journal of Chemical Physics. 118: 7658-7671. DOI: 10.1063/1.1561616  0.577
2002 Dima RI, Thirumalai D. Exploring protein aggregation and self-propagation using lattice models: Phase diagram and kinetics Protein Science. 11: 1036-1049. PMID 11967361 DOI: 10.1110/Ps.4220102  0.388
2002 Betancourt MR, Thirumalai D. Protein sequence design by energy landscaping Journal of Physical Chemistry B. 106: 599-609. DOI: 10.1021/Jp012014C  0.741
2001 Heilman-Miller SL, Pan J, Thirumalai D, Woodson SA. Role of counterion condensation in folding of the Tetrahymena ribozyme. II. Counterion-dependence of folding kinetics. Journal of Molecular Biology. 309: 57-68. PMID 11491301 DOI: 10.1006/Jmbi.2001.4660  0.37
2001 Heilman-Miller SL, Thirumalai D, Woodson SA. Role of counterion condensation in folding of the Tetrahymena ribozyme. I. Equilibrium stabilization by cations. Journal of Molecular Biology. 306: 1157-66. PMID 11237624 DOI: 10.1006/Jmbi.2001.4437  0.362
2000 Klimov DK, Thirumalai D. Native topology determines force-induced unfolding pathways in globular proteins Proceedings of the National Academy of Sciences of the United States of America. 97: 7254-7259. PMID 10860990 DOI: 10.1073/Pnas.97.13.7254  0.403
2000 Klimov DK, Thirumalai D. Mechanisms and kinetics of β-hairpin formation Proceedings of the National Academy of Sciences of the United States of America. 97: 2544-2549. PMID 10716988 DOI: 10.1073/Pnas.97.6.2544  0.372
1999 Pan J, Thirumalai D, Woodson SA. Magnesium-dependent folding of self-splicing RNA: exploring the link between cooperativity, thermodynamics, and kinetics. Proceedings of the National Academy of Sciences of the United States of America. 96: 6149-54. PMID 10339556 DOI: 10.1073/Pnas.96.11.6149  0.371
1999 Betancourt MR, Thirumalai D. Exploring the kinetic requirements for enhancement of protein folding rates in the GroEL cavity Journal of Molecular Biology. 287: 627-644. PMID 10092464 DOI: 10.1006/Jmbi.1999.2591  0.765
1999 Betancourt MR, Thirumalai D. Pair potentials for protein folding: Choice of reference states and sensitivity of predicted native states to variations in the interaction schemes Protein Science. 8: 361-369. PMID 10048329 DOI: 10.1110/Ps.8.2.361  0.745
1999 Lidar DA, Thirumalai D, Elber R, Gerber RB. Fractal analysis of protein potential energy landscapes Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 59: 2231-2243. DOI: 10.1103/Physreve.59.2231  0.337
1999 Lee N, Thirumalai D. Stretching DNA: Role of electrostatic interactions European Physical Journal B. 12: 599-605. DOI: 10.1007/S100510051043  0.332
1998 Klimov DK, Betancourt MR, Thirumalai D. Virtual atom representation of hydrogen bonds in minimal off-lattice models of α helices: Effect on stability, cooperativity and kinetics Folding and Design. 3: 481-496. PMID 9889160 DOI: 10.1016/S1359-0278(98)00065-0  0.747
1998 Klimov DK, Thirumalai D. Lattice models for proteins reveal multiple folding nuclei for nucleation-collapse mechanism Journal of Molecular Biology. 282: 471-492. PMID 9735420 DOI: 10.1006/Jmbi.1998.1997  0.414
1998 Guo Z, Thirumalai D. The nucleation-collapse mechanism in protein folding: evidence for the non-uniqueness of the folding nucleus. Folding & Design. 2: 377-91. PMID 9427012 DOI: 10.1016/S1359-0278(97)00052-7  0.371
1998 Klimov DK, Thirumalai D. Linking rates of folding in lattice models of proteins with underlying thermodynamic characteristics Journal of Chemical Physics. 109: 4119-4125. DOI: 10.1063/1.477012  0.381
1997 Mohanty D, Elber R, Thirumalai D, Beglov D, Roux B. Kinetics of peptide folding: computer simulations of SYPFDV and peptide variants in water. Journal of Molecular Biology. 272: 423-42. PMID 9325101 DOI: 10.1006/Jmbi.1997.1246  0.373
1997 Veitshans T, Klimov D, Thirumalai D. Protein folding kinetics: Timescales, pathways and energy landscapes in terms of sequence-dependent properties Folding and Design. 2: 1-22. PMID 9080195 DOI: 10.1016/S1359-0278(97)00002-3  0.439
1997 Bussemaker HJ, Thirumalai D, Bhattacharjee JK. Thermodynamic Stability of Folded Proteins against Mutations Physical Review Letters. 79: 3530-3533. DOI: 10.1103/Physrevlett.79.3530  0.323
1996 Thirumalai D, Ashwin VV, Bhattacharjee J. Dynamics of Random Hydrophobic-Hydrophilic Copolymers with Implications for Protein Folding. Physical Review Letters. 77: 5385-5388. PMID 10062790 DOI: 10.1103/Physrevlett.77.5385  0.305
1996 Thirumalai D, Woodson SA. Kinetics of Folding of Proteins and RNA Accounts of Chemical Research. 29: 433-439. DOI: 10.1021/Ar9500933  0.434
1995 Thirumalai D. From Minimal Models to Real Proteins: Time Scales for Protein Folding Kinetics Journal De Physique I. 5: 1457-1467. DOI: 10.1051/Jp1:1995209  0.393
1995 Guo Z, Thirumalai D. Kinetics Of Protein Folding: Nucleation Mechanism, Time Scales, And Pathways Biopolymers. 36: 83-102. DOI: 10.1002/Bip.360360108  0.42
1995 Thirumalai D, Guo Z. Nucleation mechanism for protein folding and theoretical predictions for hydrogen‐exchange labeling experiments Biopolymers. 35: 137-140. DOI: 10.1002/Bip.360350114  0.31
1994 Straub JE, Rashkin AB, Thirumalai D. Dynamics in rugged energy landscapes with applications to the S-peptide and ribonuclease A Journal of the American Chemical Society. 116: 2049-2063. DOI: 10.1021/Ja00084A051  0.572
1992 Honeycutt JD, Thirumalai D. The nature of folded states of globular proteins. Biopolymers. 32: 695-709. PMID 1643270 DOI: 10.1002/Bip.360320610  0.425
1991 Thirumalai D, Berne BJ. Methods for simulating time correlation functions in quantum systems Computer Physics Communications. 63: 415-426. DOI: 10.1016/0010-4655(91)90266-N  0.496
1989 Kirkpatrick TR, Thirumalai D. Random solutions from a regular density functional Hamiltonian: a static and dynamical theory for the structural glass transition Journal of Physics a: Mathematical and General. 22: L149-L155. DOI: 10.1088/0305-4470/22/5/003  0.314
1988 Thirumalai D, Kirkpatrick TR. Mean-field Potts glass model: Initial-condition effects on dynamics and properties of metastable states Physical Review B. 38: 4881-4892. DOI: 10.1103/Physrevb.38.4881  0.305
1987 Mountain RD, Thirumalai D. Molecular-dynamics study of glassy and supercooled states of a binary mixture of soft spheres. Physical Review A. 36: 3300-3311. PMID 9899249 DOI: 10.1103/Physreva.36.3300  0.303
1987 Coker DF, Berne BJ, Thirumalai D. Path integral Monte Carlo studies of the behavior of excess electrons in simple fluids The Journal of Chemical Physics. 86: 5689-5702. DOI: 10.1063/1.452495  0.663
1987 Wallqvist A, Thirumalai D, Berne BJ. Path integral Monte Carlo study of the hydrated electron The Journal of Chemical Physics. 86: 6404-6418. DOI: 10.1063/1.452429  0.493
1986 Berne BJ, Thirumalai D. On the Simulation of Quantum Systems: Path Integral Methods Annual Review of Physical Chemistry. 37: 401-424. DOI: 10.1146/Annurev.Pc.37.100186.002153  0.46
1986 Thirumalai D, Wallqvist A, Berne BJ. Path-integral Monte Carlo simulations of electron localization in water clusters Journal of Statistical Physics. 43: 973-984. DOI: 10.1007/Bf02628324  0.499
1986 Wallqvist A, Thirumalai D, Berne BJ. Localization of an excess electron in water clusters The Journal of Chemical Physics. 85: 1583-1591. DOI: 10.1002/Chin.198642001  0.441
1985 Thirumalai D, Bruskin EJ, Berne BJ. On the use of semiclassical dynamics in determining electronic spectra of Br2in an Ar matrix The Journal of Chemical Physics. 83: 230-238. DOI: 10.1063/1.449813  0.487
1985 Thirumalai D, Garrett BC, Berne BJ. Evaluation of microcanonical rate constants for bimolecular reactions by path integral techniques The Journal of Chemical Physics. 83: 2972-2975. DOI: 10.1063/1.449200  0.621
1985 Thirumalai D, Berne B. Path integral methods for simulating electronic spectra Chemical Physics Letters. 116: 471-473. DOI: 10.1016/0009-2614(85)85196-4  0.473
1984 Thirumalai D, Hall RW, Berne BJ. A path integral Monte Carlo study of liquid neon and the quantum effective pair potential The Journal of Chemical Physics. 81: 2523-2527. DOI: 10.1063/1.447985  0.637
1984 Thirumalai D, Berne BJ. Time correlation functions in quantum systems The Journal of Chemical Physics. 81: 2512-2513. DOI: 10.1063/1.447913  0.443
1984 Thirumalai D, Thompson TC, Truhlar DG. Rational fraction analytic continuation method for complex resonance energies in multidimensional systems The Journal of Chemical Physics. 80: 5864-5865. DOI: 10.1063/1.446616  0.388
1983 Schwenke DW, Thirumalai D, Truhlar DG. Accurate, smooth, local, energy-dependent optical potentials for electron scattering Physical Review A. 28: 3258-3267. DOI: 10.1103/Physreva.28.3258  0.402
1983 Staszewska G, Schwenke DW, Thirumalai D, Truhlar DG. Quasifree-scattering model for the imaginary part of the optical potential for electron scattering Physical Review A. 28: 2740-2751. DOI: 10.1103/Physreva.28.2740  0.38
1983 Thirumalai D, Truhlar DG. Tests of the semiclassical polarization approximation for electron scattering by helium and neon Physical Review A. 27: 158-166. DOI: 10.1103/Physreva.27.158  0.406
1983 Staszewska G, Schwenke DW, Thirumalai D, Truhlar DG. Non-empirical model for the imaginary part of the optical potential for electron scattering Journal of Physics B: Atomic and Molecular Physics. 16: L281-L287. DOI: 10.1088/0022-3700/16/9/006  0.373
1983 Thirumalai D, Bruskin EJ, Berne BJ. An iterative scheme for the evaluation of discretized path integrals The Journal of Chemical Physics. 79: 5063-5069. DOI: 10.1063/1.445601  0.482
1983 Thirumalai D, Berne BJ. On the calculation of time correlation functions in quantum systems: Path integral techniquesa) The Journal of Chemical Physics. 79: 5029-5033. DOI: 10.1063/1.445597  0.481
1983 Schwenke DW, Thirumalai D, Truhlar DG, Coltrin ME. Tests of the quasiclassical trajectory cross‐correlation moment method against accurate quantum dynamics for V–V energy transfer in HF–HF collisions The Journal of Chemical Physics. 78: 3078-3083. DOI: 10.1063/1.445221  0.397
1983 Abusalbi N, Eades RA, Nam T, Thirumalai D, Dixon DA, Truhlar DG, Dupuis M. Electron scattering by methane: Elastic scattering and rotational excitation cross sections calculated withab initiointeraction potentials The Journal of Chemical Physics. 78: 1213-1227. DOI: 10.1002/Chin.198319041  0.359
1982 Thirumalai D, Truhlar DG. Energy-dependent polarization potential, dispersion-relation absorption potential, and matrix effective potential for electron-neon scattering at 10 — 100 eV Physical Review A. 26: 793-807. DOI: 10.1103/Physreva.26.793  0.401
1982 Thirumalai D, Truhlar DG. Application of the matrix-effective-potential formalism to electron-neon scattering at 150 - 700-eV impact energy and comparison to optical-potential calculations Physical Review A. 25: 3058-3071. DOI: 10.1103/Physreva.25.3058  0.385
1982 Valone SM, Truhlar DG, Thirumalai D. Localized second-order optical potential for electron scattering in terms of imaginary-frequency susceptibilities Physical Review A. 25: 3003-3014. DOI: 10.1103/Physreva.25.3003  0.416
1982 Thirumalai D, Truhlar DG, Brandt MA, Eades RA, Dixon DA. Polarization and absorption effects in electron-helium scattering at 30-400 eV Physical Review A. 25: 2946-2958. DOI: 10.1103/Physreva.25.2946  0.386
1982 Thirumalai D, Truhlar DG. Rapid convergence of V–V energy transfer calculated using adiabatic basis functions. I. An accurate two‐state model for low‐energy resonant V–V energy transfer. II. The Journal of Chemical Physics. 76: 5287-5294. DOI: 10.1063/1.442926  0.403
1982 Thirumalai D, Truhlar DG. Full‐response pseudochannels: A new method for converging coupled‐channels scattering calculations. Theory and examples The Journal of Chemical Physics. 76: 385-389. DOI: 10.1063/1.442733  0.392
1981 Thirumalai D, Truhlar DG. Improved calculation of the cross section for excitation of the asymmetric stretch of CO2 by electron impact The Journal of Chemical Physics. 75: 5207-5209. DOI: 10.1063/1.441876  0.367
1981 Thirumalai D, Onda K, Truhlar DG. Electron scattering by CO2: Elastic scattering, rotational excitation, and excitation of the asymmetric stretch at 10 eV impact energy The Journal of Chemical Physics. 74: 6792-6805. DOI: 10.1063/1.441086  0.406
1981 Thirumalai D, Onda K, Truhlar DG. Elastic scattering and rotational excitation of a polyatomic molecule by electron impact: Acetylene The Journal of Chemical Physics. 74: 526-534. DOI: 10.1063/1.440804  0.394
1980 Thirumalai D, Onda K, Truhlar DG. Excitation of the asymmetric stretch mode of CO2by electron impact Journal of Physics B: Atomic and Molecular Physics. 13: L619-L622. DOI: 10.1088/0022-3700/13/20/003  0.392
1980 Thirumalai D, Truhlar DG. Comparison of convergence for the schwinger, optimized anomaly-free, and optimized minimum-norm variational methods for potential scattering Chemical Physics Letters. 70: 330-335. DOI: 10.1016/0009-2614(80)85345-0  0.362
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