pavanghatty's library 115 articles Export

	Normal mode refinement of anisotropic thermal parameters for a supramolecular complex at 3.42-Ã crystallographic resolution [My Copy] Proceedings of the National Academy of Sciences, Vol. 104, No. 19. (8 May 2007), pp. 7869-7874. by Billy K. Poon, Xiaorui Chen, Mingyang Lu, et al.Nand K. Vyas, Florante A. Quiocho, Qinghua Wang, Jianpeng Ma posted to reading by pavanghatty on 2009-11-04 23:08:10 as along with 2 people apaydin aqeel
	Water inertial reorientation: Hydrogen bond strength and the angular potential [My Copy] Proceedings of the National Academy of Sciences, Vol. 105, No. 14. (8 April 2008), pp. 5295-5300. by David E. Moilanen, Emily E. Fenn, Yu-Shan Lin, J. L. Skinner, B. Bagchi, Michael D. Fayer posted to rotationaldiff hydrogenbond glycerol by pavanghatty on 2009-10-30 16:46:28 as
	SURFNET: a program for visualizing molecular surfaces, cavities, and intermolecular interactions. [My Copy] Journal of molecular graphics, Vol. 13, No. 5. (October 1995) by R. A. Laskowski posted to vmd by pavanghatty on 2009-10-20 19:32:31 as along with 2 people tjimenez sriram_s
	Crystal structure of spinach major light-harvesting complex at 2.72\AA resolution [My Copy] Nature, Vol. 428, No. 6980. (18 March 2004), pp. 287-292. by Z. Liu, H. Yan, K. Wang, et al.T. Kuang, J. Zhang, L. Gui, X. An, W. Chang posted to lhc by pavanghatty on 2009-10-16 18:42:31 as along with 2 people and 2 groups welschra jwm Radiation_Damage Stressosome
	Phage Display and Peptide Mapping of an Immunoglobulin Light Chain Fibril-Related Conformational Epitope† [My Copy] Biochemistry, Vol. 46, No. 45. (1 November 2007), pp. 13049-13058. by Brian O'Nuallain, Amy Allen, Demet Ataman, Deborah T. Weiss, Alan Solomon, Jonathan S. Wall posted to iglobulin by pavanghatty on 2009-09-16 14:49:14 as
	Localization of a Conformational Epitope Common to Non-Native and Fibrillar Immunoglobulin Light Chains† [My Copy] Biochemistry, Vol. 46, No. 5. (1 February 2007), pp. 1240-1247. by Brian O'Nuallain, Amy Allen, Stephen J. Kennel, Deborah T. Weiss, Alan Solomon, Jonathan S. Wall posted to iglobulin by pavanghatty on 2009-09-16 14:48:23 as
	AMBER force-field parameters for phosphorylated amino acids in different protonation states: phosphoserine, phosphothreonine, phosphotyrosine, and phosphohistidine [My Copy] Journal of Molecular Modeling, Vol. 12, No. 3. (1 February 2006), pp. 281-289. by Nadine Homeyer, Anselm Horn, Harald Lanig, Heinrich Sticht posted to amber by pavanghatty on 2009-08-27 21:31:16 as along with 2 people pmung GermanErlenkamp
	Residence times of water molecules in the hydration sites of myoglobin. [My Copy] Biophys J, Vol. 79, No. 6. (December 2000), pp. 2966-2974. by V. A. Makarov, B. K. Andrews, P. E. Smith, B. M. Pettitt posted to glycerol ornl trehalose water by pavanghatty on 2009-06-26 16:25:03 as along with 1 person somoney
	Methyl group rotation and the low temperature transition in hexamethylbenzene. A neutron diffraction study [My Copy] Discuss. Faraday Soc., Vol. 48 (1969), pp. 192-204. by Walter C. Hamilton, James W. Edmonds, Armin Tippe posted to methylgrp by pavanghatty on 2009-05-11 19:48:59 as
	On the gearing of methyl groups in hexamethylbenzene [My Copy] Journal of Computational Chemistry, Vol. 1, No. 1. (1980), pp. 76-80. by Linda D. Iroff posted to methylgrp by pavanghatty on 2009-05-11 16:53:58 as
	Methyl group dynamics in the crystalline alanine dipeptide: A combined computer simulation and inelastic neutron scattering analysis [My Copy] The Journal of Chemical Physics, Vol. 97, No. 12. (1992), pp. 8864-8879. by G. R. Kneller, W. Doster, M. Settles, S. Cusack, J. C. Smith posted to methylgrp by pavanghatty on 2009-05-07 16:18:08 as along with 1 person andreasauerwein
	Methyl Group Dynamics in Poly(vinyl acetate): A Neutron Scattering Study [My Copy] Macromolecules, Vol. 31, No. 12. (1 June 1998), pp. 3985-3993. by R. Mukhopadhyay, A. Alegria, J. Colmenero, B. Frick posted to methylgrp by pavanghatty on 2009-05-07 16:15:35 as
	A Generalized-Born Solvation Model for Macromolecular Hybrid-Potential Calculations [My Copy] J. Phys. Chem. A, Vol. 106, No. 7. (21 February 2002), pp. 1316-1326. by E. Pellegrini, M. J. Field posted to water by pavanghatty on 2009-05-04 14:37:14 as along with 1 person onufriev
	DL_POLY: application to molecular simulation [My Copy] Molecular Simulation, Vol. 28, No. 5. (2002), pp. 385-471. by W. Smith, C. W. Yong, P. M. Rodger posted to mdsw by pavanghatty on 2009-04-29 15:30:02 as
	GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation [My Copy] Journal of Chemical Theory and Computation, Vol. 4, No. 3. (1 March 2008), pp. 435-447. by Berk Hess, Carsten Kutzner, David van der Spoel, Erik Lindahl posted to mdsw by pavanghatty on 2009-04-29 15:20:03 as along with 23 people and 2 groups sunnytov softsimu parnell rabio oteri krapnik robertvacha rodrigofaccioli janneb ZhangYinhe okapi flbarroso marceavi A_Coletta_Thesis choonpeng Lombardo_7 jwm daevans mmuecke sobolevnrm r2s2 middledomain loison Structural Biology Group TorVergata baker-group
	A Minima Hopping Study of All-Atom Protein Folding and Structure Prediction [My Copy] The Journal of Physical Chemistry B, Vol. 0, No. 0. (0000) by Shantanu Roy, Stefan Goedecker, Martin J. Field, Evgeni Penev posted to reading by pavanghatty on 2009-04-27 15:13:14 as
	VMD: Visual molecular dynamics [My Copy] Journal of Molecular Graphics, Vol. 14, No. 1. (February 1996), pp. 33-38. by W. Humphrey posted to ache amber amyloid beta-propeller binary binarytrehalose desmond ethanol gaff glycerol hsa hydrationwater hydrogenbond icenano iqt letter lysozyme massspec mdintro ornl pdb reading research_intro residence_times rotationaldiff slaving structure_function swell td ten_rules tip3p tobias trehalose water by pavanghatty on 2009-04-26 01:52:09 as along with 6 people and 1 group whitead csrocha r2s2 choonpeng RamuAnandakrishnan tji Jiang Research Group
	Preferential hydration of lysozyme in water/glycerol mixtures: A small-angle neutron scattering study [My Copy] The Journal of Chemical Physics, Vol. 126, No. 23. (2007), 235101. by Raffaele Sinibaldi, Maria G. Ortore, Francesco Spinozzi, et al.Flavio Carsughi, Henrich Frielinghaus, Stefania Cinelli, Giuseppe Onori, Paolo Mariani posted to glycerol trehalose water by pavanghatty on 2009-04-26 01:35:33 as
	Proteins in Mixed Solvents: A Molecular-Level Perspective [My Copy] The Journal of Physical Chemistry B, Vol. 107, No. 50. (1 December 2003), pp. 14058-14067. by Brian M. Baynes, Bernhardt L. Trout posted to glycerol trehalose water by pavanghatty on 2009-04-24 16:33:47 as
	Langevin stabilization of molecular dynamics [My Copy] The Journal of Chemical Physics, Vol. 114, No. 5. (2001), pp. 2090-2098. by Jesús A. Izaguirre, Daniel P. Catarello, Justin M. Wozniak, Robert D. Skeel posted to glycerol trehalose water by pavanghatty on 2009-04-22 19:42:38 as along with 1 person Vadikus
	Asymmetry in the Shapes of Folded and Denatured States of Proteins [My Copy] The Journal of Physical Chemistry B, Vol. 108, No. 21. (May 2004), pp. 6564-6570. by Ruxandra I. Dima, D. Thirumalai posted to glycerol trehalose water by pavanghatty on 2009-04-22 19:07:27 as
	A reappraisal of what we have learnt during three decades of computer simulations on water [My Copy] Journal of Molecular Liquids In Molecular Liquids. Water at the New Millenium, Vol. 101, No. 1-3. (November 2002), pp. 219-260. by Bertrand Guillot posted to amber glycerol trehalose by pavanghatty on 2009-04-21 21:51:57 as along with 5 people flbarroso loison ruvido softsimu onufriev
	How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules? [My Copy] Journal of Computational Chemistry, Vol. 21, No. 12. (2000), pp. 1049-1074. by Junmei Wang, Piotr Cieplak, Peter A. Kollman posted to glycerol trehalose water by pavanghatty on 2009-04-21 21:19:12 as along with 5 people and 1 group fralium dsmueller A_Coletta_Thesis allmensch rabio Structural Biology Group TorVergata
	Using PC clusters to evaluate the transferability of molecular mechanics force fields for proteins. [My Copy] J Comput Chem, Vol. 24, No. 1. (15 January 2003), pp. 21-31. by A. Okur, B. Strockbine, V. Hornak, C. Simmerling posted to glycerol trehalose water by pavanghatty on 2009-04-21 21:03:26 as along with 1 person allmensch
	Alpha-helical stabilization by side chain shielding of backbone hydrogen bonds. [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 99, No. 5. (5 March 2002), pp. 2782-2787. by A. E. García, K. Y. Sanbonmatsu posted to glycerol trehalose water by pavanghatty on 2009-04-21 20:52:07 as along with 2 people Diego_Prada GermanErlenkamp
	A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules [My Copy] Journal of the American Chemical Society, Vol. 117, No. 19. (1 May 1995), pp. 5179-5197. by Wendy D. Cornell, Piotr Cieplak, Christopher I. Bayly, et al.Ian R. Gould, Kenneth M. Merz, David M. Ferguson, David C. Spellmeyer, Thomas Fox, James W. Caldwell, Peter A. Kollman posted to amber glycerol trehalose by pavanghatty on 2009-04-21 20:45:38 as along with 6 people Lombardo_7 softsimu coomteng flbarroso kgutwin dfgreen
	Biopreservation. Putting proteins under glass. [My Copy] Science (New York, N.Y.), Vol. 267, No. 5206. (31 March 1995), pp. 1922-1923. by K. C. Fox posted to glycerol trehalose by pavanghatty on 2009-04-17 03:18:54 as
	An approach to computing electrostatic charges for molecules [My Copy] Journal of Computational Chemistry, Vol. 5, No. 2. (1984), pp. 129-145. by U. Chandra Singh, Peter A. Kollman posted to amber glycerol trehalose by pavanghatty on 2009-04-16 21:37:29 as along with 4 people and 1 group whitead tovrstra dfgreen kimikazu Jiang Research Group
	A new force field for molecular mechanical simulation of nucleic acids and proteins [My Copy] Journal of the American Chemical Society, Vol. 106, No. 3. (1 February 1984), pp. 765-784. by Scott J. Weiner, Peter A. Kollman, David A. Case, et al.Chandra U. Singh, Caterina Ghio, Guliano Alagona, Salvatore Profeta, Paul Weiner posted to amber glycerol trehalose by pavanghatty on 2009-04-16 21:17:19 as along with 1 person dfgreen
	Force fields for protein simulations. [My Copy] Adv Protein Chem, Vol. 66 (2003), pp. 27-85. by J. W. Ponder, D. A. Case posted to amber glycerol trehalose by pavanghatty on 2009-04-16 20:52:39 as along with 4 people and 2 groups karbak marcius papatonyhill hmk BioinfoCIPF SGU-CIPF
	The Amber biomolecular simulation programs. [My Copy] Journal of computational chemistry, Vol. 26, No. 16. (December 2005), pp. 1668-1688. by David A. Case, Thomas E. Cheatham, Tom Darden, et al.Holger Gohlke, Ray Luo, Kenneth M. Merz, Alexey Onufriev, Carlos Simmerling, Bing Wang, Robert J. Woods posted to amber glycerol trehalose by pavanghatty on 2009-04-16 20:48:28 as along with 18 people and 3 groups krapnik csrocha nickolay mmuecke flbarroso charris5 tahereh62 lna jwm ttjoseph xdeupi tovrstra bilab RamuAnandakrishnan IrinaMoreira adilson_mohr mikaellund gisle Radiation_Damage Stressosome LabCompMed
	THE CHEMISTRY OF INSECT HEMOLYMPH: II. TREHALOSE AND OTHER CARBOHYDRATES [My Copy] J. Gen. Physiol., Vol. 40, No. 6. (20 July 1957), pp. 833-847. by G. R. Wyatt, G. F. Kalf posted to trehalose water by pavanghatty on 2009-04-08 19:13:05 as
	Solvent dramatically affects protein structure refinement [My Copy] Proceedings of the National Academy of Sciences, Vol. 105, No. 51. (23 December 2008), pp. 20239-20244. by Gaurav Chopra, Christopher M. Summa, Michael Levitt posted to reading by pavanghatty on 2009-04-06 19:53:59 as along with 7 people and 4 groups rabio mijam dgront barry sobolevnrm biehl itmeson structural_bioinformatics McCammon Bioinformatics baker-group
	Local conformational dynamics in α-helices measured by fast triplet transfer [My Copy] Proceedings of the National Academy of Sciences (January 2009) by Beat Fierz, Andreas Reiner, Thomas Kiefhaber posted to reading by pavanghatty on 2009-04-06 19:52:19 as
	On the stabilizing action of protein denaturants: acetonitrile effect on stability of lysozyme in aqueous solutions. [My Copy] Biophysical chemistry, Vol. 83, No. 1. (10 January 2000), pp. 45-59. by E. L. Kovrigin, S. A. Potekhin posted to glycerol by pavanghatty on 2009-04-04 22:31:21 as
	Structure of phosphate-free ribonuclease A refined at 1.26 A. [My Copy] Biochemistry, Vol. 27, No. 8. (19 April 1988), pp. 2705-2717. by A. Wlodawer, L. A. Svensson, L. Sjölin, G. L. Gilliland posted to glycerol pdb by pavanghatty on 2009-04-04 16:14:41 as
	Microcalorimetric study of thermal unfolding of lysozyme in water/glycerol mixtures: an analysis by solvent exchange model. [My Copy] The Journal of chemical physics, Vol. 129, No. 3. (21 July 2008) by F. Spinozzi, M. G. Ortore, R. Sinibaldi, et al.P. Mariani, A. Esposito, S. Cinelli, G. Onori posted to glycerol by pavanghatty on 2009-04-03 21:25:27 as
	Calorimetric evidence for a native-like conformation of hen egg-white lysozyme dissolved in glycerol. [My Copy] Biochimica et biophysica acta, Vol. 1478, No. 2. (23 May 2000), pp. 309-317. by T. V. Burova, N. V. Grinberg, V. Y. Grinberg, R. V. Rariy, A. M. Klibanov posted to glycerol by pavanghatty on 2009-04-03 21:25:13 as
	Algorithms for macromolecular dynamics and constraint dynamics [My Copy] Molecular Physics, Vol. 34, No. 5. (1977), pp. 1311-1327. by W. F. van Gunsteren, H. J. C. Berendsen posted to massspec by pavanghatty on 2009-04-03 18:08:57 as along with 1 person stephenbond
	A smooth particle mesh Ewald method [My Copy] The Journal of Chemical Physics, Vol. 103, No. 19. (1995), pp. 8577-8593. by Ulrich Essmann, Lalith Perera, Max L. Berkowitz, Tom Darden, Hsing Lee, Lee G. Pedersen posted to massspec by pavanghatty on 2009-04-03 18:00:06 as along with 15 people and 2 groups jmparks rpetrenko A_Coletta_Thesis r2s2 charris5 sobolevnrm choonpeng lillekatt and_ped10 easybakemuffin RamuAnandakrishnan ashaytan mikaellund 6rheology jteyra Structural Biology Group TorVergata baker-group
	Percolation transition of hydration water: from planar hydrophilic surfaces to proteins. [My Copy] Physical review letters, Vol. 95, No. 24. (9 December 2005) by A. Oleinikova, I. Brovchenko, N. Smolin, A. Krukau, A. Geiger, R. Winter posted to glycerol trehalose water by pavanghatty on 2009-04-02 20:44:22 as
	The chemistry of insect hemolymph. III. Glycerol. [My Copy] The Journal of general physiology, Vol. 42, No. 5. (20 May 1959), pp. 1005-1011. by G. R. WYATT, W. L. MEYER posted to glycerol by pavanghatty on 2009-04-01 15:28:45 as
	Eco-physiological phases of insect diapause. [My Copy] J Insect Physiol (2 December 2005) by Vladimír Koštál posted to glycerol by pavanghatty on 2009-04-01 14:58:40 as along with 1 person tardigrade
	The Control of Protein Stability and Association by Weak Interactions with Water: How Do Solvents Affect These Processes? [My Copy] Annual Review of Biophysics and Biomolecular Structure, Vol. 22, No. 1. (1993), pp. 67-97. by S. N. Timasheff posted to glycerol by pavanghatty on 2009-04-01 04:47:26 as along with 2 people dsmueller mikaellund
	A protein molecule in an aqueous mixed solvent: Fluctuation theory outlook [My Copy] The Journal of Chemical Physics, Vol. 123, No. 5. (2005), 054909. by Ivan L. Shulgin, Eli Ruckenstein posted to glycerol by pavanghatty on 2009-03-31 20:02:52 as
	RESPIRATORY ENZYME SYSTEM OF THE BOMBYX SILKWORM EGG IN RELATION TO THE MECHANISM OF THE FORMATION OF SUGAR ALCOHOLS. [My Copy] Archives of biochemistry and biophysics, Vol. 102 (September 1963), pp. 400-415. by H. CHINO posted to glycerol by pavanghatty on 2009-03-30 22:16:42 as
	The role of structure, energy landscape, dynamics, and allostery in the enzymatic function of myoglobin. [My Copy] Proc Natl Acad Sci U S A, Vol. 98, No. 5. (27 February 2001), pp. 2370-2374. by H. Frauenfelder, B. H. McMahon, R. H. Austin, K. Chu, J. T. Groves posted to structure_function by pavanghatty on 2009-03-25 23:25:08 as along with 2 people lna ruvido
	Characterization of sub-nanosecond dynamics of the molten globule state of $α$-lactalbumin using quasielastic neutron scattering and molecular dynamics simulations [My Copy] Chemical Physics, Vol. 292 (August 2003), pp. 435-443. by M. tarek posted to mdintro by pavanghatty on 2009-03-25 01:49:51 as
	Solvent effects on protein motion and protein effects on solvent motion. Dynamics of the active site region of lysozyme. [My Copy] Journal of molecular biology, Vol. 208, No. 1. (5 July 1989), pp. 159-181. by C. L. Brooks, M. Karplus posted to no-tag by pavanghatty on 2009-03-25 00:06:18 as
	Protein and solvent dynamics: How strongly are they coupled? [My Copy] The Journal of Chemical Physics, Vol. 121, No. 4. (2004), pp. 1978-1983. by G. Caliskan, D. Mechtani, J. H. Roh, et al.A. Kisliuk, A. P. Sokolov, S. Azzam, M. T. Cicerone, Lin S. Gibson, I. Peral posted to glycerol trehalose by pavanghatty on 2009-03-22 15:31:40 as

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glycerol	65
trehalose	47
water	42
ornl	29
amber	9
binary	7
hydrogenbond	6
research_intro	6
reading	5
methylgrp	4
hsa	3
massspec	3
rotationaldiff	3
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desmond	2
ethanol	2
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letter	2
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mdintro	2
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iqt	1
lhc	1
residence_times	1
slaving	1
swell	1
td	1
tobias	1
vmd	1

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