mikaellund's library 296 articles Export

	Ion specific correlations in bulk and at biointerfaces [My Copy] J. Phys. Condens. Matter, Vol. 21, No. 42. (2009), 424108. by I. Kalcher, D. Horinek, R. R. Netz, J. Dzubiella posted to md ionpair hofmeister by mikaellund on 2009-11-05 10:39:59 as
	Effect of Ions on the Hydrophobic Interaction between Two Plates [My Copy] Journal of the American Chemical Society, Vol. 129, No. 15. (1 April 2007), pp. 4678-4686. by Ronen Zangi, Morten Hagen, B. J. Berne posted to md hydrophobic hofmeister by mikaellund on 2009-10-23 23:21:22 as along with 1 person and 1 group samjlord moernerlab
	Isotropic periodic sum: A method for the calculation of long-range interactions [My Copy] The Journal of Chemical Physics, Vol. 122, No. 4. (2005), 044107. by Xiongwu Wu, Bernard R. Brooks posted to md electrostatic by mikaellund on 2009-10-21 09:36:42 as
	Isotropic periodic sum of electrostatic interactions for polar systems [My Copy] The Journal of Chemical Physics, Vol. 131, No. 2. (2009), 024107. by Xiongwu Wu, Bernard R. Brooks posted to md electrostatic by mikaellund on 2009-10-21 09:34:42 as along with 2 people agrossfield dlimmer
	Ion-specific thermodynamics of multicomponent electrolytes: A hybrid HNC/MD approach [My Copy] J. Chem. Phys., Vol. 131, No. 15. (2009), 154109. by Luboš Vrbka, Mikael Lund, Immanuel Kalcher, Joachim Dzubiella, Roland R. Netz, Werner Kunz posted to hofmeister himself electrostatic continuum by mikaellund on 2009-10-20 21:30:22 as
	Electrostatics in macromolecular solutions [My Copy] In Food Colloids: Self-Assembly and Material Science, Vol. 302 (2007) by B. Jonsson, M. Lund, F. L. B. da Silva edited by E. Dickinson, M. E. Leser posted to no-tag by mikaellund on 2009-10-20 09:44:27 as
	Recent advances in implicit solvent-based methods for biomolecular simulations. [My Copy] Current opinion in structural biology, Vol. 18, No. 2. (04 April 2008), pp. 140-148. by Jianhan Chen, Charles L. Brooks, Jana Khandogin posted to titration continuum-model by mikaellund on 2009-10-08 13:26:08 as along with 7 people and 2 groups RamuAnandakrishnan oteri nickolay flbarroso choonpeng sobolevnrm onufriev Structural Biology Group TorVergata baker-group
	Application of the RESP Methodology in the Parametrization of Organic Solvents [My Copy] The Journal of Physical Chemistry B, Vol. 102, No. 41. (1 October 1998), pp. 8070-8079. by Thomas Fox, Peter A. Kollman posted to forcefield chloroform by mikaellund on 2009-10-08 10:35:47 as along with 1 person and 1 group A_Coletta_Thesis Structural Biology Group TorVergata
	Sorption of organic solvents on the surface of crystalline syndiotactic polystyrene studied by molecular dynamics simulation [My Copy] Journal of Molecular Structure, Vol. 739, No. 1-3. (04 April 2005), pp. 27-32. by Y. Tamai, M. Fukuda posted to forcefield chloroform by mikaellund on 2009-10-08 10:34:37 as
	Molecular dynamics simulation of liquid mixtures of acetonitrile and chloroform [My Copy] The Journal of Physical Chemistry, Vol. 94, No. 19. (1 September 1990), pp. 7378-7385. by H. Kovacs, J. Kowalewski, A. Laaksonen posted to forcefield chloroform by mikaellund on 2009-10-08 10:29:02 as
	Structure Factor and Radial Distribution Function for Liquid Argon at 85 \ifmmode^\circ\else\textdegree\fiK [My Copy] Physical Review A, Vol. 7, No. 6. (Jun 1973), pp. 2130-2144. by J. L. Yarnell, M. J. Katz, R. G. Wenzel, S. H. Koenig posted to structure liquid by mikaellund on 2009-09-22 14:08:00 as
	The inverse and direct Hofmeister series for lysozyme [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 36. (8 September 2009), pp. 15249-15253. by Yanjie Zhang, Paul S. Cremer posted to protein-protein hofmeister by mikaellund on 2009-09-21 15:18:13 as along with 1 person paulschlesinger
	Excess chemical potential of dilute solutions of spherical polyelectrolytes [My Copy] The Journal of Chemical Physics, Vol. 60, No. 7. (1974), pp. 2721-2731. by George D. J. Phillies posted to statmek multipole electrostatic by mikaellund on 2009-09-02 12:22:33 as
	Association and electrostatic steering of alpha-lactalbumin-lysozyme heterodimers [My Copy] Phys. Chem. Chem. Phys., Vol. 11 (2009), pp. 8879-8885. by Bjorn A. Persson, Mikael Lund posted to protein-protein electrostatic alignment by mikaellund on 2009-08-12 15:39:29 as along with 1 person flbarroso
	Partial enthalpies and related quantities in mixtures from computer simulation [My Copy] Chemical Physics Letters, Vol. 136, No. 1. (24 April 1987), pp. 35-41. by P. Sindzingre posted to computing monte-carlo by mikaellund on 2009-07-27 15:40:09 as
	Computation of partial enthalpies of various Lennard-Jones model mixtures by NPT molecular dynamics [My Copy] Journal of Physics: Condensed Matter, Vol. 1, No. 5. (1989), pp. 957-963. by R. Vogelsang, C. Hoheisel, P. Sindzingre, G. Ciccotti, D. Frenkel posted to computing monte-carlo by mikaellund on 2009-07-27 15:36:34 as
	Enhanced protein steering: cooperative electrostatic and van der waals forces in antigen-antibody complexes. [My Copy] J. Phys. Chem. B, Vol. 113, No. 30. (30 July 2009), pp. 10459-10464. by Björn A. Persson, Bo Jönsson, Mikael Lund posted to alignment protein-protein vdw by mikaellund on 2009-07-23 08:16:50 as along with 2 people and 1 group jmccammon flbarroso McCammon
	Ion hydration: Implications for cellular function, polyelectrolytes, and protein crystallization [My Copy] Biophys. Chem., Vol. 119, No. 3. (01 February 2006), pp. 271-281. by Kim D. Collins posted to hofmeister ionpair by mikaellund on 2009-07-10 14:36:13 as
	Thermodynamically dominant hydration structures of aqueous ions [My Copy] J. Chem. Phys., Vol. 130, No. 19. (2009), pp. 195102-0. by Safir Merchant, D. Asthagiri posted to hofmeister ionpair by mikaellund on 2009-07-09 10:00:37 as along with 5 people and 1 group afenley flbarroso dlimmer agrossfield sobolevnrm baker-group
	Local Order in Aqueous NaCl Solutions and Pure Water: X-ray Scattering and Molecular Dynamics Simulations Study [My Copy] J. Phys. Chem. B, Vol. 110, No. 46. (1 November 2006), pp. 23515-23523. by Salah Bouazizi, Salah Nasr, Nejmeddine Jaidane, Marie-Claire Bellissent-Funel posted to ionpair by mikaellund on 2009-07-09 09:04:56 as along with 1 person softsimu
	Electric dipole moments in polar solvents. II. Tetraisoamylammonium nitrate ion pairs in chlorobenzene. Effect of mutual polarization of the ions [My Copy] J. Sol. Chem., Vol. 2, No. 4. (1 August 1973), pp. 393-404. by Ernest Grunwald, Adan Effio posted to activity ionpair by mikaellund on 2009-07-07 13:50:26 as
	Charge density-dependent strength of hydration and biological structure. [My Copy] Biophys. J., Vol. 72, No. 1. (January 1997), pp. 65-76. by K. D. Collins posted to hofmeister solvation by mikaellund on 2009-07-02 21:45:32 as
	Using simulation to study solvation in water [My Copy] Pure Appl. Chem., Vol. 73 (2001), pp. 1721-1731. by R. M. Lynden-Bell, J. C. Rasaiah, J. P. Noworyta posted to md solvation by mikaellund on 2009-07-02 21:31:21 as
	Enhanced Protein Steering: Cooperative Electrostatic and van der Waals Forces in Antigen-Antibody Complexes [My Copy] J. Phys. Chem. B - In Press (2009) by B. Persson, B. Jönsson, M. Lund posted to alignment protein-protein by mikaellund on 2009-06-30 14:36:03 as
	Macroscopic models for studies of electrostatic interactions in proteins: Limitation s and applicability [My Copy] Proc. Natl. Acad. Sci. USA, Vol. 81 (1984), pp. 4785-4789. by A. Warshel, S. T. Russel, A. K. Churg posted to continuum titration by mikaellund on 2009-06-29 12:38:54 as
	Electrostatic Models for Calcium Binding Proteins [My Copy] J. Phys. Chem. B, Vol. 102 (1998), pp. 8599-8610. by R. Penfold, J. Warwicker, B. Jönsson posted to continuum titration by mikaellund on 2009-06-29 12:37:21 as
	Gaussian 03, Revision C.02 [My Copy] (2003) by M. J. Frisch, G. W. Trucks, H. B. Schlegel, et al.G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, Al M. A. Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople posted to ab-initio computing by mikaellund on 2009-06-29 09:46:48 as
	Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects [My Copy] Chem. Phys., Vol. 55, No. 1. (1 February 1981), pp. 117-129. by S. Mierts posted to pcm by mikaellund on 2009-06-29 09:42:16 as
	All-electron and relativistic pseudopotential studies for the group 1 element polarizabilities from K to element 119 [My Copy] J. Chem. Phys., Vol. 122, No. 10. (2005), pp. 104103-0. by Ivan S. Lim, Peter Schwerdtfeger, Bernhard Metz, Hermann Stoll posted to pcm by mikaellund on 2009-06-29 09:40:10 as
	On the Spectroscopic and Thermochemical Properties of ClO, BrO, IO, and Their Anions [My Copy] J. Phys. Chem. A, Vol. 110, No. 51. (1 December 2006), pp. 13877-13883. by Kirk A. Peterson, Benjamin C. Shepler, Detlev Figgen, Hermann Stoll posted to pcm by mikaellund on 2009-06-29 09:38:17 as
	Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models [My Copy] J. Comp. Chem., Vol. 13, No. 8. (1992), pp. 952-962. by Shuichi Miyamoto, Peter A. Kollman posted to computing md by mikaellund on 2009-06-29 09:03:32 as
	The missing term in effective pair potentials [My Copy] J. Phys. Chem., Vol. 91, No. 24. (1987), pp. 6269-6271. by H. J. C. Berendsen, J. R. Grigera, T. P. Straatsma posted to computing by mikaellund on 2009-06-29 09:03:32 as
	GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation [My Copy] J. Chem. Theory Comput., Vol. 4, No. 3. (2008), pp. 435-447. by Berk Hess, Carsten Kutzner, David van der Spoel, Erik Lindahl posted to computing by mikaellund on 2009-06-29 09:03:32 as
	Charge-Dependent Cavity Radii for an Accurate Dielectric Continuum Model of Solvation with Emphasis on Ions: Aqueous Solutes with Oxo, Hydroxo, Amino, Methyl, Chloro, Bromo, and Fluoro Functionalities [My Copy] J. Phys. Chem. A (25 September 2008) by Bojana Ginovska, Donald M. Camaioni, Michel Dupuis, Christine A. Schwerdtfeger, Quinn Gil posted to cavity continuum-model by mikaellund on 2009-06-25 09:17:35 as
	Ion Pairing in Molecular Simulations of Aqueous Alkali Halide Solutions [My Copy] J. Phys. Chem. B, Vol. 113, No. 19. (14 May 2009), pp. 6782-6791. by Christopher J. Fennell, Alan Bizjak, Vojko Vlachy, Ken A. Dill posted to hofmeister md by mikaellund on 2009-06-22 11:10:13 as along with 2 people and 1 group flbarroso sobolevnrm baker-group
	Equilibrium cluster formation in concentrated protein solutions and colloids [My Copy] Nature, Vol. 432, No. 7016. (25 November 2004), pp. 492-495. by Anna Stradner, Helen Sedgwick, Frederic Cardinaux, Wilson C. Poon, Stefan U. Egelhaaf, Peter Schurtenberger posted to aggregation protein-protein by mikaellund on 2009-06-17 09:59:40 as along with 1 person mc1975
	Are Hofmeister Series Relevant to Modern Ion-Specific Effects Research? [My Copy] Scholarly Research Exchange, Vol. 2008 (2008) by T. J. Evens, R. P. Niedz posted to hofmeister by mikaellund on 2009-06-11 14:25:02 as
	Explicit solvent models in protein pKa calculations [My Copy] Biophysical Journal, Vol. 71, No. 1. (July 1996), pp. 138-147. by C. Gibas posted to titration by mikaellund on 2009-06-11 12:36:10 as along with 1 person flbarroso
	An electrostatic basis for the stability of thermophilic proteins. [My Copy] Proteins, Vol. 57, No. 1. (1 October 2004), pp. 128-141. by B. N. Dominy, H. Minoux, C. L. Brooks posted to electrostatic protein stability by mikaellund on 2009-06-11 07:56:51 as along with 2 people and 2 groups flbarroso jwm Radiation_Damage Stressosome
	Rational design of ion force fields based on thermodynamic solvation properties [My Copy] The Journal of Chemical Physics, Vol. 130, No. 12. (2009), 124507. by Dominik Horinek, Shavkat I. Mamatkulov, Roland R. Netz posted to computing md solvation by mikaellund on 2009-05-25 13:30:12 as along with 1 person and 1 group sobolevnrm baker-group
	Charging of Oil−Water Interfaces Due to Spontaneous Adsorption of Hydroxyl Ions [My Copy] Langmuir, Vol. 12, No. 8. (1 January 1996), pp. 2045-2051. by K. G. Marinova, R. G. Alargova, N. D. Denkov, et al.O. D. Velev, D. N. Petsev, I. B. Ivanov, R. P. Borwankar posted to airwater surface by mikaellund on 2009-05-19 10:52:53 as
	Autoionization at the surface of neat water: is the top layer pH neutral, basic, or acidic? [My Copy] Phys Chem Chem Phys, Vol. 9, No. 34. (14 September 2007), pp. 4736-4747. by R. Vácha, V. Buch, A. Milet, J. P. Devlin, P. Jungwirth posted to airwater surface by mikaellund on 2009-05-19 08:50:22 as along with 1 person robertvacha
	Lattice sum calculations for 1/rp interactions via multipole expansions and Euler summation [My Copy] J. Comp. Chem., Vol. 22, No. 2. (2001), pp. 208-215. by D. Steiger, R. Glaser posted to computing multipole by mikaellund on 2009-05-15 12:00:39 as
	The apparent molal heat capacity, enthalpy, and free energy of seawater fit to the Pitzer equations [My Copy] Marine Chemistry, Vol. 94, No. 1-4. (01 March 2005), pp. 81-99. by F. Millero, D. Pierrot posted to seawater by mikaellund on 2009-05-14 12:35:07 as
	The composition of Standard Seawater and the definition of the Reference-Composition Salinity Scale [My Copy] Deep Sea Research Part I: Oceanographic Research Papers, Vol. 55, No. 1. (January 2008), pp. 50-72. by F. Millero, R. Feistel, D. Wright, T. Mcdougall posted to seawater by mikaellund on 2009-05-14 10:33:18 as
	Preparation of Artificial Seawater [My Copy] Limnology and Oceanography, Vol. 12, No. 1. (1967), pp. 176-179. by Dana R. Kester, Iver W. Duedall, Donald N. Connors, Ricardo M. Pytkowicz posted to seawater by mikaellund on 2009-05-14 10:21:57 as
	The thermodynamics of seawater at one atmosphere [My Copy] Am J Sci, Vol. 276, No. 9. (1 November 1976), pp. 1035-1077. by F. J. Millero, W. H. Leung posted to seawater by mikaellund on 2009-05-14 10:12:50 as
	Calculation of the osmotic and activity coefficients of seawater at 25°C [My Copy] Journal of Solution Chemistry, Vol. 1, No. 6. (1 December 1972), pp. 481-488. by R. A. Robinson, R. H. Wood posted to activity osmotic seawater by mikaellund on 2009-05-14 10:08:47 as
	A chemical model of seawater including dissolved ammonia and the stoichiometric dissociation constant of ammonia in estuarine water and seawater from −2 to 40°C [My Copy] Geochimica et Cosmochimica Acta, Vol. 59, No. 12. (June 1995), pp. 2403-2421. by S. Clegg posted to activity seawater by mikaellund on 2009-05-14 10:06:45 as
	Solubilities and activity coefficients of calcium and strontium sulfates in synthetic sea water at 0.5 and 25.degree.C [My Copy] The Journal of Physical Chemistry, Vol. 82, No. 25. (1 December 1978), pp. 2693-2699. by C. H. Culberson, Glenn Latham, Roger G. Bates posted to seawater by mikaellund on 2009-05-14 10:03:11 as

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protein	59
aggregation	52
electrostatic	50
hofmeister	47
continuum-model	42
ion-binding	29
computing	27
md	24
alignment	23
hydrophobic	22
statmek	21
himself	19
charge-regulation	16
protein-protein	16
activity	14
titration	14
virial	13
whey	13
seawater	10
pnipam	9
interface	8
ionpair	8
saliva	8
antibody	7
forcefield	7
taa	7
solvation	6
continuum	5
phosphate	4
polymers	4
chloroform	3
pcm	3
vdw	3
airwater	2
antimicrobial	2
fluoride	2
monte-carlo	2
multipole	2
nmr	2
osmotic	2
surface	2
ab-initio	1
brownian	1
cavity	1
coarse-graining	1
docking	1
fibril	1
guanidine	1
hydrophilic	1
ion-correlation	1
lipid	1
liquid	1
macromolecules	1
membrane	1
nitrate	1
radii	1
stability	1
structure	1

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