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Theory of Chemical Dynamics

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"Morphology of Polymer Brushes Infiltrated by Attractive Nanoinclusions of Various Sizes," Opferman, MG, Coalson, RD, Jasnow, D, Zilman, A , LANGMUIR, Vol. 29, 2013, Pages 8584-8591, http://www.ncbi.nlm.nih.gov/pubmed/23758614 "Overdamped Dynamics of Folded Protein Domains within a Locally Harmonic Basin Using Coarse Graining Based on a Partition of Compact Flexible Clusters," Manson AC, Coalson RD, JOURNAL OF PHYSICAL CHEMISTRY B, Vol. 117, 2013, Pages 6646-6655 , http://apps.webofknowledge.com/full_record.do?product=UA&search_mode=GeneralSear... "Metal binding sites of human H-chain ferritin and iron transport mechanism to the ferroxidase sites: A molecular dynamics simulation study," Laghaei R, Evans DG, Coalson, RD, PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, Vol. 81, 2013, Pages 1042-1050, http://apps.webofknowledge.com/full_record.do?product=UA&search_mode=GeneralSear... "Langevin Dynamics Simulation of 3D Colloidal Crystal Vacancies and Phase Transitions," R. Laghaei, S.A. Asher and R.D. Coalson, Journal of Physical Chemistry B, Vol. 117, 2013, Pages 5271-5279, "Surface plasmon polaritons and optical transmission through a vortex lattice in a film of type-II superconductor," Berman OL, Lozovik YE, Kolesnikov AA, Bogdanova MV, Coalson RD , JOURNAL OF THE OPTICAL SOCIETY OF AMERICA B-OPTICAL PHYSICS , Vol. 30, 2013, Pages 909-913 , http://apps.webofknowledge.com/full_record.do?product=UA&search_mode=GeneralSear... "Energetics and Ion permeation Characteristics in a Glutamate-Gated Chloride (GluCl) Receptor Channel," Cheng MH, Coalson RD, JOURNAL OF PHYSICAL CHEMISTRY B, Vol. 116, 2012, Pages 13637-13643 , http://apps.webofknowledge.com/full_record.do?product=UA&search_mode=GeneralSear... "Response of Rotation-Translation Blocked Proteins Using Langevin Dynamics on a Locally Harmonic Landscape," Manson AC, Coalson RD, JOURNAL OF PHYSICAL CHEMISTRY B, Vol. 116, 2012, Pages 12142-12158, http://apps.webofknowledge.com/full_record.do?product=UA&search_mode=GeneralSear... "Morphological control of grafted polymer films via attraction to small nanoparticle inclusions," Opferman MG, Coalson RD, Jasnow D, Zilman A, PHYSICAL REVIEW E, Vol. 86, 2012, Pages 031806, http://apps.webofknowledge.com/full_record.do?product=UA&search_mode=GeneralSear... "Molecular Dynamics Investigation of Cl- and Water Transport through a Eukaryotic CLC Transporter," Cheng MH, Coalson RD, BIOPHYSICAL JOURNAL, Vol. 102, 2012, Pages 1363-1371, http://apps.webofknowledge.com/full_record.do?product=UA&search_mode=GeneralSear... "Physical Modeling of the Conformational Dynamics of the Flexible Unfolded Proteins of the Nuclear Pore Complex," Zilman A, Opferman M, Coalson R, Jasnow D, Welch P , BIOPHYSICAL JOURNAL, Vol. 102, 2012, Pages 526A-526A, http://apps.webofknowledge.com/full_record.do?product=UA&search_mode=GeneralSear... "Discrete-State Representation of Ion Permeation Coupled to Fast Gating in a Model of CLC-Chloride Channels: Analytic Estimation of the State-to-State Rate Constants," Coalson RD, Cheng MH , JOURNAL OF PHYSICAL CHEMISTRY A , Vol. 115, 2011, Pages 9633-9642, http://apps.webofknowledge.com/full_record.do?product=UA&search_mode=GeneralSear... "Molecular Dynamics and Brownian Dynamics Investigation of Ion Permeation and Anesthetic Halothane Effects on a Proton-Gated Ion Channel," Cheng MHY, Coalson RD, Tang P , Journal of the American Chemical Society, Vol. 132, 2010, Pages 16442-16449, http://pubs.acs.org/doi/pdf/10.1021/ja105001a?source=chemport "Calcium Inhibits Paracellular Sodium Conductance through Claudin-2 by Competitive Binding," Yu ASL, Cheng MH, Coalson RD , Journal of Biological Chemistry, Vol. 285, 2010, Pages 37060-37069 , http://www.jbc.org/content/285/47/37060.full.pdf "The Electrostatics of VDAC: Implications for Selectivity and Gating ," Choudhary OP, Ujwal R, Kowallis W, Coalson R, Abramson J, Grabe M, JOURNAL OF MOLECULAR BIOLOGY , Vol. 396, 2010, Pages 580-592, http://www.sciencedirect.com/science/article/pii/S0022283609014764 "Effectiveness of Perturbation Theory Approaches for Computing Non-Condon Electron Transfer Dynamics in Condensed Phases," Cook WR, Coalson RD, Evans DG, JOURNAL OF PHYSICAL CHEMISTRY B, Vol. 113, 2009, Pages 11437-11447, http://pubs.acs.org/doi/pdf/10.1021/jp9007976 "Dynamic Linear Response Theory for Conformational Relaxation of Proteins," Author(s): Essiz SG, Coalson RD , JOURNAL OF PHYSICAL CHEMISTRY B, Vol. 113, 2009, Pages 10859-10869, http://pubs.acs.org/doi/pdf/10.1021/jp900745u "Molecular Basis for Cation Selectivity in Claudin-2-based Paracellular Pores: Identification of an Electrostatic Interaction Site ," Yu ASL, Cheng MH, Angelow S, Gunzel D, Kansawa SA, Schneeberger EE, Fromm M, Coalson RD, JOURNAL OF GENERAL PHYSIOLOGY, Vol. 133, 2009, Pages 111-127, http://jgp.rupress.org/content/133/1/111.full.pdf+html "In Silico Models for the Human alpha 4 beta 2 Nicotinic Acetylcholine Receptor," Haddadian EJ, Cheng MHY, Coalson RD, Xu Y, Tang P, JOURNAL OF PHYSICAL CHEMISTRY B, Vol. 112, 2008, Pages 13981-13990, http://pubs.acs.org/doi/pdf/10.1021/jp804868s "Light diffraction from colloidal crystals with low dielectric constant modulation: Simulations using single-scattering theory," Tikhonov A, Coalson RD, Asher SA, PHYSICAL REVIEW B, Vol. 77, 2008, Pages 235404, http://prb.aps.org/pdf/PRB/v77/i23/e235404 "Computational prediction of ion permeation characteristics in the glycine receptor modified by photo-sensitive compounds," Cheng MH, Coalson RD, Cascio M, Kurnikova M, JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, Vol. 22, 2008, Pages 563-570, http://www.springerlink.com/content/b8513551414t4052/fulltext.pdf "Molecular dynamics simulations of ethanol binding to the transmembrane domain of the glycine receptor: Implications for the channel potentiation mechanism ," Cheng MH, Coalson RD, Cascio M , PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2008, Pages 972-981, http://www3.interscience.wiley.com/cgi-bin/fulltext/116842440/PDFSTART "Discrete-state model of coupled ion permeation and fast gating in ClC chloride channels," Coalson RD , JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL, Vol. 41, 2009, Pages 115001, http://iopscience.iop.org/1751-8121/41/11/115001/pdf/1751-8121_41_11_115001.pdf "Partitioning of a polymer chain between a confining cavity and a gel ," Tsonchev S, Coalson RD, Duncan A, PHYSICAL REVIEW E, Vol. 76, 2007, Pages 041804, Part 1, http://pre.aps.org/pdf/PRE/v76/i4/e041804 "Langevin dynamics of molecules with internal rigid fragments in the harmonic regime," Essiz SG, Coalson RD , JOURNAL OF CHEMICAL PHYSICS , Vol. 127, 2007, Pages 104109, http://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JCPSA60001...

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