Tag solvent [102 articles] Export

Recent papers classified by the tag solvent.

	Solvent bar microextraction. [My Copy] Analytical chemistry, Vol. 76, No. 18. (15 September 2004), pp. 5591-5596. by Xianmin Jiang, Hian Kee K. Lee posted to solvent bar by lucap1949 on 2009-11-13 21:10:24 as along with 1 person 8602134
	Free energy landscape of protein folding in water: Explicit vs. implicit solvent [My Copy] Proteins: Structure, Function, and Genetics, Vol. 53, No. 2. (2003), pp. 148-161. by Ruhong Zhou posted to vs solvent protein model in implicit folding explicit by chemrahul82 on 2009-11-09 01:30:40 as along with 5 people flbarroso choonpeng RamuAnandakrishnan onufriev msuarezdiez
	Docking Ligands into Flexible and Solvated Macromolecules. 5. Force-Field-Based Prediction of Binding Affinities of Ligands to Proteins [My Copy] Journal of Chemical Information and Modeling, Vol. 0, No. 0. (0000) by Pablo Englebienne, Nicolas Moitessier posted to solvent prediction nov09 ligand flexibility docking affinity by nickolay on 2009-11-03 20:35:14 as
	Distributed multipole analysis -- Methods and applications [My Copy] Molecular Physics: An International Journal at the Interface Between Chemistry and Physics, Vol. 56, No. 5. (1985), pp. 1047-1064. by A. J. Stone, M. Alderton posted to solvent electrostatic ab-initio by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-10-30 17:53:23 as
	Comparison of molecular dynamics with hybrid continuum--molecular dynamics for a single tethered polymer in a solvent [My Copy] The Journal of Chemical Physics, Vol. 121, No. 5. (2004), pp. 2403-2411. by Sandra Barsky, Rafael D. Buscalioni, Peter V. Coveney posted to solvent molecular_dynamics comparison by 6rheology on 2009-10-21 06:32:42 as
	Thermodynamic Perspective on the Dock−Lock Growth Mechanism of Amyloid Fibrils [My Copy] The Journal of Physical Chemistry B, Vol. 0, No. 0. (0000) by Edward P. O’Brien, Yuko Okamoto, John E. Straub, Bernard R. Brooks, D. Thirumalai posted to urea tmao solvent simulation md implicit fibril explicit amyloid aggregation by samcho on 2009-10-12 15:29:56 as
	Organic solvents identify specific ligand binding sites on protein surfaces [My Copy] Nat Biotech, Vol. 15, No. 3. (March 1997), pp. 264-268. by Edvards Liepinsh, Gottfried Otting, Edvards Liepinsh, Gottfried Otting posted to solvent hotspots by ubcg08l on 2009-10-07 15:36:46 as
	Chapter 7 Implicit Solvent Models in Molecular Dynamics Simulations: A Brief Overview [My Copy] Annual Reports in Computational Chemistry, Vol. 4 (2008), pp. 125-137. by A. Onufriev posted to solvent protein molecular_dynamics by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-10-06 11:36:30 as along with 1 person flbarroso
	Chapter 6 Implicit Solvent Simulations of Biomolecules in Cellular Environments [My Copy] Annual Reports in Computational Chemistry, Vol. 4 (2008), pp. 107-121. by M. Feig, S. Tanizaki, M. Sayadi posted to solvent protein molecular_dynamics by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-10-06 11:35:24 as along with 2 people and 1 group flbarroso sobolevnrm baker-group
	FTIR spectroelectrochemical study of the activation and inactivation processes of [NiFe] hydrogenases: effects of solvent isotope replacement and site-directed mutagenesis [My Copy] Journal of Biological Inorganic Chemistry, Vol. 9, No. 5. (17 July 2004), pp. 636-642. by Antonio Lacey, Alejandro Pardo, Víctor Fernández, et al.Sebastian Dementin, Geraldine Adryanczyk-Perrier, E. Hatchikian, Marc Rousset posted to solvent site-directed replacement nife mutation mutagenesis isotope hydrogenase by roshniwadhwani on 2009-10-03 16:54:32 as
	Flexible lipid bilayers in implicit solvent. [My Copy] Physical review. E, Statistical, nonlinear, and soft matter physics, Vol. 72, No. 1 Pt 1. (July 2005) by Grace Brannigan, Peter F. Philips, Frank L. Brown posted to solvent model implicit brann05pdf by paulschlesinger on 2009-09-25 20:43:07 as
	Fuzzy molecular surfaces. [My Copy] Journal of biomolecular structure & dynamics, Vol. 9, No. 4. (February 1992), pp. 759-768. by M. E. Agishtein posted to surface solvent accessible by csrocha to the group structural_bioinformatics on 2009-09-20 13:14:06 as
	Solvent accessible surface area and excluded volume in proteins. Analytical equations for overlapping spheres and implications for the hydrophobic effect. [My Copy] Journal of molecular biology, Vol. 178, No. 1. (5 September 1984), pp. 63-89. by T. J. Richmond posted to surface solvent protein desolvation accesible by csrocha to the group structural_bioinformatics on 2009-09-20 12:59:36 as along with 1 person Lombardo_7
	Solid-phase peptide synthesis using acetonitrile as a solvent in combination with PEG-based resins [My Copy] Journal of Peptide Science, Vol. 15, No. 10. (2009), pp. 629-633. by Gerardo A. Acosta, Montserrat D. Fresno, Marta Paradis-Bas, et al.Maria Rigau-DeLlobet, Simon Côté, Miriam Royo, Fernando Albericio posted to solvent peptide coupling by dr_proton on 2009-09-15 11:34:56 as
	Solvent-localized NMR spectroscopy using the distant dipolar field: A method for NMR separations with a single gradient [My Copy] Journal of Magnetic Resonance, Vol. 176, No. 1. (September 2005), pp. 120-124. by C. Faber posted to water structure solvent nmr by whitead to the group Jiang Research Group on 2009-09-04 22:52:12 as
	Binding site detection and druggability index from first principles. [My Copy] Journal of medicinal chemistry, Vol. 52, No. 8. (23 April 2009), pp. 2363-2371. by Jesus Seco, F. Javier Luque, Xavier Barril posted to solvent fragments druggability by ubcg08l on 2009-09-03 10:37:47 as along with 3 people sschurer higueruelo Klapampfer
	Theory of complicated liquidsInvestigation of liquids, solvents and solvent effects with modern theoretical methods [My Copy] Physics Reports, Vol. 440, No. 1-3. (March 2007), pp. 1-111. by B. Kirchner posted to theory theoretical_methods solventeffect solvent rtil by majdula on 2009-09-02 10:48:53 as
	Dynamics of genomic-library enrichment and identification of solvent tolerance genes for Clostridium acetobutylicum. [My Copy] Applied and environmental microbiology, Vol. 73, No. 9. (May 2007), pp. 3061-3068. by J. R. Borden, E. T. Papoutsakis posted to solvent tolerance by stxme on 2009-06-25 15:59:27 as
	Highly sensitive setup for tunable wavelength hyper-Rayleigh scattering with parallel detection and calibration data for various solvents [My Copy] Opt. Express, Vol. 17, No. 6. (16 March 2009), pp. 4587-4604. by Jochen Campo, Filip Desmet, Wim Wenseleers, Etienne Goovaerts posted to hrs solvent by loison on 2009-05-29 16:12:17 as
	Energetic coupling between DNA bending and base pair opening [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 85, No. 19. (October 1988), pp. 7231-7235. by J. Ramstein, R. Lavery posted to implicit solvent by RamuAnandakrishnan on 2009-05-19 23:30:24 as
	Physiology of carbohydrate to solvent conversion by clostridia. [My Copy] Advances in microbial physiology, Vol. 39 (1998), pp. 31-130. by W. J. Mitchell posted to acetobutylicum butanol carbohydrate clostridia conversion physiology solvent by Winzer on 2009-05-15 15:06:20 as
	Molecular dynamics and free energy analysis of neuraminidase-ligand interactions. [My Copy] Protein science : a publication of the Protein Society, Vol. 13, No. 4. (April 2004), pp. 946-957. by P. Bonnet, R. A. Bryce posted to analysis binding computational continuum dynamics energy free influenza inhibitors methodology models molecular neuraminidase perturbation solvent by GermanErlenkamp on 2009-05-12 13:36:48 as along with 1 person dfgreen
	A Linear Scaling Study of Solvent−Solute Interaction Energy of Drug Molecules in Aqua Solution [My Copy] The Journal of Physical Chemistry B, Vol. 111, No. 34. (1 August 2007), pp. 10320-10328. by Laban Bondesson, Elias Rudberg, Yi Luo, Pawel Salek posted to drug interaction linear scaling solute solvent by GermanErlenkamp on 2009-05-12 13:22:52 as
	Transferable Coarse-Grained Models for Ionic Liquids [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 4. (14 April 2009), pp. 1091-1098. by Yanting Wang, Shulu Feng, Gregory A. Voth posted to coarse_grained force_field parametrization solvent by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-04-22 11:43:54 as
	Environment and exposure to solvent of protein atoms. Lysozyme and insulin [My Copy] Journal of Molecular Biology, Vol. 79, No. 2. (15 September 1973), pp. 351-364. by A. Shrake, J. Rupley posted to accessible algorithm protein sas solvent surface by csrocha to the group structural_bioinformatics on 2009-04-04 11:46:18 as along with 1 person mijam
	Solvent-tolerant bacteria for biotransformations in two-phase fermentation systems [My Copy] Applied Microbiology and Biotechnology, Vol. 74, No. 5. (April 2007), pp. 961-973. by Heipieper, Hermann, Neumann, et al. Grit, Cornelissen, Sjef, Meinhardt, Friedhelm posted to solvent tolerant two-fermentation by Sarah1986 on 2009-02-08 19:33:04 as
	A new definition of cavities for the computation of solvation free energies by the polarizable continuum model [My Copy] The Journal of Chemical Physics, Vol. 107, No. 8. (1997), pp. 3210-3221. by Vincenzo Barone, Maurizio Cossi, Jacopo Tomasi posted to ab-initio pcm solvent water by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-01-20 16:36:36 as
	New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution [My Copy] The Journal of Chemical Physics, Vol. 117, No. 1. (2002), pp. 43-54. by Maurizio Cossi, Giovanni Scalmani, Nadia Rega, Vincenzo Barone posted to ab-initio pcm solvent water by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-01-20 16:34:59 as
	Solvent Effects on Crown Ether Complexations1 [My Copy] The Journal of Organic Chemistry, Vol. 61, No. 16. (1 January 1996), pp. 5221-5226. by Vitally P. Solov'ev, Nadezhda N. Strakhova, Oleg A. Raevsky, Volker Rudiger, Hans-Jorg Schneider posted to crown effect ether solvent by yangcheng30 on 2009-01-20 04:43:22 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 folding solvent by itmeson on 2008-12-24 21:27:35 as along with 7 people and 4 groups rabio pavanghatty mijam dgront barry sobolevnrm biehl structural_bioinformatics McCammon Bioinformatics baker-group
	Toward a Coarse-Grained Protein Model Coupled with a Coarse-Grained Solvent Model: Solvation Free Energies of Amino Acid Side Chains [My Copy] Journal of Chemical Theory and Computation, Vol. 4, No. 11. (11 November 2008), pp. 1891-1901. by Wei Han, Cheuk-Kin Wan, Yun-Dong Wu posted to coarse-grained field force gromacs modeling parameter solvent thermodynamics water by rbaron on 2008-12-05 18:49:52 as along with 3 people sunrise agrossfield middledomain
	Conductivities of Binary Mixtures of Ionic Liquids with Polar Solvents† [My Copy] Journal of Chemical & Engineering Data, Vol. 0, No. 0. (0000) by Alexander Stoppa, Johannes Hunger, Richard Buchner posted to binary conductivity ionic liquid polar solvent rtil by majdula on 2008-12-01 11:24:36 as
	Effect of solvent-water mixtures on the prototropic equilibria of fluorescein and on the spectral properties of the monoanion [My Copy] Photochem Photobiol, Vol. 72, No. 2. (August 2000), pp. 179-185. by N. Klonis, W. H. Sawyer posted to fluoroscein mixture properties solvent spectral water by dmoodie on 2008-11-26 10:33:42 as along with 1 person and 1 group dark_innocent neurolit
	Models of beta-Amyloid Ion Channels in the Membrane Suggest That Channel Formation in the Bilayer Is a Dynamic Process [My Copy] Biophysical Journal, Vol. 93, No. 6. (15 September 2007), pp. 1938-1949. by Hyunbum Jang, Jie Zheng, Ruth Nussinov posted to abeta amyloid dmds ion-channel simulations solvent by chiufanlee on 2008-11-13 10:15:41 as
	Solvent and mutation effects on the nucleation of amyloid β-protein folding [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 102, No. 51. (20 December 2005), pp. 18258-18263. by Luis Cruz, Brigita Urbanc, Jose M. Borreguero, Noel D. Lazo, David B. Teplow, Eugene H. Stanley posted to amyloid mds solvent by chiufanlee on 2008-11-07 11:30:31 as along with 1 person itmeson
	Effects of Addition of Polar Organic Solvents on Micellization [My Copy] Langmuir (21 October 2008) by Amalia Rodríguez, María Graciani, María L. Moyá posted to micelle organis rodrig08pdf solvent by paulschlesinger on 2008-10-22 00:15:00 as
	Spatiotemporal reaction kinetics of an ultrafast photoreaction pathway visualized by time-resolved liquid x-ray diffraction [My Copy] Proceedings of the National Academy of Sciences, Vol. 103, No. 25. (20 June 2006), pp. 9410-9415. by Tae K. Kim, Maciej Lorenc, Jae H. Lee, et al.Manuela Lo Russo, Joonghan Kim, Marco Cammarata, Qingyu Kong, Sylvie Noel, Anton Plech, Michael Wulff, Hyotcherl Ihee posted to bond-breaking hgi hydrodynamics liquid-phase molecular-structural-dynamics solvent transient-structure txrd by aloks on 2008-10-06 23:33:10 as
	Flexibility analysis of nondispersive solvent extraction plant [My Copy] Separation Science and Technology, Vol. 37, No. 1. (2002), pp. 161-189. by Ana I. Alonso, Günter Gruhn posted to 336 aliquat analysis cr extraction flexibilty solvent by jurekg on 2008-09-29 08:20:03 as
	Foldamer dynamics expressed via Markov state models. I. Explicit solvent molecular-dynamics simulations in acetonitrile, chloroform, methanol, and water [My Copy] The Journal of Chemical Physics, Vol. 123, No. 11. (2005) by Sidney P. Elmer, Sanghyun Park, Vijay S. Pande posted to markov md ref solvent by toerst on 2008-08-27 14:45:19 as along with 1 person Diego_Prada
	Inter-residue and solvent-residue interactions in proteins: a statistical study on experimental structures. [My Copy] Proteins, Vol. 55, No. 1. (1 April 2004), pp. 139-151. by R. Chelli, F. L. Gervasio, P. Procacci, V. Schettino posted to analysis solvent statpot by kgutwin on 2008-08-25 20:54:07 as along with 1 person and 2 groups ana structural_bioinformatics Bioinformatics
	Dissecting Entropic Coiling and Poor Solvent Effects in Protein Collapse [My Copy] J. Am. Chem. Soc. (12 August 2008) by Frauke Gräter, Pascal Heider, Ronen Zangi, B. J. Berne posted to entropy folding protein solvent by paulschlesinger on 2008-08-16 00:07:28 as
	Comparison of Thermodynamic Properties of Coarse-Grained and Atomic-Level Simulation Models. [My Copy] Chemphyschem, Vol. 8, No. 3. (8 February 2007), pp. 452-461. by Riccardo Baron, Daniel Trzesniak, Alex H H. de Vries, Andreas Elsener, Siewert J J. Marrink, Wilfred F F. van Gunsteren posted to coarse-grained dynamics entropy field fluid force gibbs gromos helmoltz hydrocarbons method modeling molecular multiscale reorganization solute solvent thermodynamics by rbaron on 2008-08-05 01:55:58 as along with 1 person choonpeng
	Vibrational contributions to nonlinear optical properties of methanol, ethanol and propanol [My Copy] Journal of Molecular Structure: THEOCHEM, Vol. 717, No. 1-3. (17 March 2005), pp. 223-230. by Yan-Hua Wang, Chuan-Kui Wang, Yi Luo posted to hyperpolarizability solvent theory by loison on 2008-07-18 15:20:47 as
	A ?solvated rotamer? approach to modeling water-mediated hydrogen bonds at protein-protein interfaces [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 58, No. 4. (2005), pp. 893-904. by Lin Jiang, Brian Kuhlman, Tanja Kortemme, David Baker posted to solvent by msuarezdiez on 2008-07-15 17:22:26 as along with 4 people oceanwind apaydin jwm skoddet
	Protein Folding in the Absence of the Solvent Ordering Contribution to the Hydrophobic Interaction [My Copy] Journal of Molecular Biology, Vol. 229, No. 2. (20 January 1993), pp. 502-511. by Derek N. Woolfson, Alan Cooper, Margaret M. Harding, Dudley H. Williams, Philip A. Evans posted to protein_design solvent by msuarezdiez on 2008-07-15 16:07:48 as
	Ultrasonic Degradation of Hydroxypropyl Cellulose Solutions in Water, Ethanol, and Tetrahydrofuran [My Copy] Journal of Macromolecular Science, Part A, Vol. 17, No. 4. (1982), pp. 601-636. by S. L. Malhotra posted to covalent effect of solvent by qlshen on 2008-07-07 18:21:46 as
	Ultrasonic degradation of polymer solutions--III. The effect of changing solvent and solution concentration [My Copy] European Polymer Journal, Vol. 29, No. 2-3. ( 1993), pp. 419-424. by Gareth J. Price, Paul F. Smith posted to covalent effect of solvent by qlshen on 2008-07-07 18:21:13 as
	Ultrasonic degradation of polymers in mixed solvents [My Copy] Die Makromolekulare Chemie, Vol. 179, No. 10. (1978), pp. 2565-2568. by Arno M. Basedow, Klaus H. Ebert, Erich Foßhag posted to covalent effect of solvent by qlshen on 2008-07-07 18:20:03 as
	Zum Mechanismus des Abbaus von Polymeren in Lösung durch Ultraschall [My Copy] Die Makromolekulare Chemie, Vol. 176, No. 3. (1975), pp. 745-757. by Arno M. Basedow, Klaus H. Ebert posted to covalent effect of solvent by qlshen on 2008-07-07 18:19:28 as
	Effect of solvent on the ultrasonic degradation of poly(vinyl acetate) [My Copy] Polymer Degradation and Stability, Vol. 71, No. 2. (2001), pp. 273-278. by Giridhar Madras, Sujay Chattopadhyay posted to covalent effect of solvent by qlshen on 2008-07-07 18:18:20 as

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theory	18
water	14
hyperpolarizability	12
effect	11
protein	11
covalent	10
oxygen	8
pdt	8
simulation	8
ab-initio	6
surface	6
implicit	5
isotope	5
liquid	5
molecular_dynamics	5
of	5
sas	5
accessible	4
deuterium	4
md	4
pcm	4
rtil	4
singlet	4
amyloid	3
analysis	3
druggability	3
dynamics	3
fe	3
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gaussian	3
gromacs	3
ionic	3
iron	3
lifetime	3
model	3
modeling	3
molecular	3
nanoparticles	3
nmr	3
protein_structure	3
tddft	3
temperature	3
tip5p	3
accesible	2
affinity	2
binding	2
bindingsites	2
butanol	2
carbohydrate	2
casting	2
clostridia	2
coarse-grained	2
coarse_grained	2
coating	2
collisional	2
computational	2
conformation	2
conversion	2
crystalviolet	2
deactivation	2
desolvation	2
docking	2
electrostatic	2
electrostatics	2
entropy	2
explicit	2
flexibility	2
fluorescence	2
fluoroscein	2
force	2
force_field	2
fragments	2
hotspots	2
ligand	2
marivi	2
nanoprisms	2
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parametrization	2
phasediagram	2
physiology	2
porphyrin	2
prediction	2
prisms	2
protein_dynamics	2
shape	2
siesta	2
silver	2
simulations	2
solvation	2
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spin	2
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Tag solvent [102 articles] Export

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