Tag resp [25 articles] Export

Recent papers classified by the tag resp.

	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 resp force-fields by softsimu on 2009-10-03 18:28:43 as along with 6 people Lombardo_7 coomteng flbarroso kgutwin pavanghatty dfgreen
	Atomic charges derived from semiempirical methods [My Copy] Journal of Computational Chemistry, Vol. 11, No. 4. (1990), pp. 431-439. by Brent H. Besler, Kenneth M. Merz, Peter A. Kollman posted to population_analysis resp by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-06-05 17:07:36 as along with 1 person dfgreen
	Evaluation of Density Functionals and Basis Sets for Carbohydrates [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 4. (14 April 2009), pp. 679-692. by Gábor I. Csonka, Alfred D. French, Glenn P. Johnson, Carlos A. Stortz posted to dft force_field parametrization resp by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-04-22 10:58:14 as along with 2 people Fortran carlosjavierna
	A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model [My Copy] The Journal of Physical Chemistry, Vol. 97, No. 40. (1 October 1993), pp. 10269-10280. by Christopher I. Bayly, Piotr Cieplak, Wendy Cornell, Peter A. Kollman posted to amber charges gaff partial resp by paddydu on 2009-03-12 15:38:55 as along with 2 people Scis0000002 dfgreen
	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 parametrization resp by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-01-15 15:09:56 as along with 1 person mikaellund
	Development of a multipoint model for sulfur in proteins: a new parametrization scheme to reproduce high-level ab initio interaction energies. [My Copy] J Comput Chem, Vol. 26, No. 3. (February 2005), pp. 283-293. by F. Wennmohs, M. Schindler posted to molecular_dynamics parametrization resp by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-01-14 18:19:24 as along with 1 person AndreaColetta
	Application of RESP charges to calculate conformational energies, hydrogen bond energies, and free energies of solvation [My Copy] Journal of the American Chemical Society, Vol. 115, No. 21. (1 October 1993), pp. 9620-9631. by Wendy D. Cornell, Piotr Cieplak, Christopher I. Bayly, Peter A. Kollmann posted to molecular_dynamics parametrization resp by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-01-14 15:28:43 as along with 1 person dfgreen
	Development of the force field parameters for phosphoimidazole and phosphohistidine. [My Copy] J Comput Chem, Vol. 25, No. 11. (August 2004), pp. 1313-1321. by Y. A. Kosinsky, P. E. Volynsky, P. Lagant, et al.G. Vergoten, E. Suzuki, A. S. Arseniev, R. G. Efremov posted to ab-initio molecular_dynamics parametrization resp by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-01-14 15:22:16 as along with 1 person dimka
	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 ab-initio parametrization resp by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-01-14 15:20:16 as along with 5 people fralium dsmueller pavanghatty allmensch rabio
	Comparison of methods for deriving atomic charges from the electrostatic potential and moments [My Copy] Journal of Computational Chemistry, Vol. 19, No. 4. (1998), pp. 377-395. by Emma Sigfridsson, Ulf Ryde posted to ab-initio parametrization resp by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-01-14 15:18:06 as
	Conformational dependence of electrostatic potential-derived charges: Studies of the fitting procedure [My Copy] Journal of Computational Chemistry, Vol. 14, No. 7. (1993), pp. 858-866. by Terry R. Stouch, Donald E. Williams posted to modeling parametrization resp by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2008-12-14 12:18:24 as
	Multiple binding modes of the camptothecin family to DNA oligomers. [My Copy] Chemistry (Weinheim an der Bergstrasse, Germany), Vol. 10, No. 22. (5 November 2004), pp. 5776-5787. by W. Bocian, R. Kawecki, E. Bednarek, et al.J. Sitkowski, A. Pietrzyk, M. P. Williamson, P. E. Hansen, L. Kozerski posted to ab-initio dft dna docking parametrization resp topotecan by A_Coletta_Thesis on 2008-10-01 10:54:50 as
	Automatic atom type and bond type perception in molecular mechanical calculations. [My Copy] J Mol Graph Model (1 February 2006) by Junmei Wang, Wei Wang, Peter A A. Kollman, David A A. Case posted to ab-initio antechamber dft molecular_dynamics parametrization resp software by A_Coletta_Thesis on 2008-09-12 11:10:27 as along with 5 people and 1 group dgruiz nigham xdeupi marcvanhouteghem AndreaColetta LabCompMed
	Spectroscopic Properties in the Liquid Phase: Combining High-Level Ab Initio Calculations and Classical Molecular Dynamics [My Copy] ChemPhysChem, Vol. 7, No. 1. (2006), pp. 148-156. by Michele Pavone, Giuseppe Brancato, Giovanni Morelli, Vincenzo Barone posted to ab-initio molecular_dynamics parametrization resp by A_Coletta_Thesis on 2008-09-10 17:02:59 as along with 1 person loison
	A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations [My Copy] Journal of Computational Chemistry, Vol. 24, No. 16. (December 2003), pp. 1999-2012. by Yong Duan, Chun Wu, Shibasish Chowdhury, et al.Mathew C. Lee, Guoming Xiong, Wei Zhang, Rong Yang, Piotr Cieplak, Ray Luo, Taisung Lee, James Caldwell, Junmei Wang, Peter Kollman posted to force_field molecular_dynamics resp by A_Coletta_Thesis on 2008-09-09 12:02:16 as along with 6 people and 1 group Vadikus flbarroso ashaytan Lombardo_7 xdeupi schlauchi LabCompMed
	ABC of intensive care: Respiratory support [My Copy] BMJ, Vol. 318, No. 7199. (19 June 1999), pp. 1674-1677. by Maire P. Shelly, Peter Nightingale posted to resp support by faraz on 2008-06-17 15:32:59 as
	Molecular dynamics simulations of biomolecules: long-range electrostatic effects. [My Copy] Annu Rev Biophys Biomol Struct, Vol. 28 (1999), pp. 155-179. by C. Sagui, T. A. Darden posted to dynamics molecular resp by AndreaColetta on 2008-02-09 09:26:34 as along with 8 people Scis0000002 babakap onufriev lillekatt ttjoseph dgront RamuAnandakrishnan r2s2
	Development and testing of a general amber force field. [My Copy] J Comput Chem, Vol. 25, No. 9. (15 July 2004), pp. 1157-1174. by J. Wang, R. M. Wolf, J. W. Caldwell, P. A. Kollman, D. A. Case posted to dynamics molecular parametrization resp by AndreaColetta on 2008-02-09 09:23:15 as along with 10 people and 1 group rdf paddydu nigham lillekatt xdeupi gane5h kazemi megs easybakemuffin pavanghatty LabCompMed
	Application of the multimolecule and multiconformational RESP methodology to biopolymers: Charge derivation for DNA, RNA, and proteins [My Copy] Journal of Computational Chemistry, Vol. 16, No. 11. (1995), pp. 1357-1377. by Piotr Cieplak, Wendy D. Cornell, Christopher Bayly, Peter A. Kollman posted to parametrization resp by AndreaColetta on 2008-02-09 09:20:09 as along with 3 people Lombardo_7 easybakemuffin RamuAnandakrishnan
	Image-based method for retrospective correction of physiological motion effects in fMRI: RETROICOR [My Copy] Magnetic Resonance in Medicine, Vol. 44, No. 1. (2000), pp. 162-167. by Gary H. Glover, Tie-Qiang Li, David Ress posted to confounds fmri resp retroicor by pervane on 2006-12-04 18:37:22 as along with 2 people and 1 group davclark JohnSchlerf Skills, Automaticity and Imaging Methods
	Regulation of respiration and heart rate response in exercise during altitude acclimatization [My Copy] J Appl Physiol, Vol. 18, No. 1. (1 January 1963), pp. 10-18. by Pierre Dejours, Ralph H. Kellogg, Nello Pace posted to hr resp by pervane on 2006-10-11 17:23:53 as
	The use of noninvasive ventilation in emergency department patients with acute cardiogenic pulmonary edema: a systematic review. [My Copy] Ann Emerg Med, Vol. 48, No. 3. (September 2006) by S. P. Collins, L. M. Mielniczuk, H. A. Whittingham, M. E. Boseley, D. R. Schramm, A. B. Storrow posted to resp systematicreview ventilation chf by bfr on 2006-08-30 08:18:07 as
	Does end-tidal carbon dioxide monitoring detect respiratory events prior to current sedation monitoring practices? [My Copy] Acad Emerg Med, Vol. 13, No. 5. (May 2006), pp. 500-504. by J. H. Burton, J. D. Harrah, C. A. Germann, D. C. Dillon posted to co2 oximetry resp ventilation by bfr on 2006-08-05 07:08:53 as
	Comparison of Two Fluid-Management Strategies in Acute Lung Injury. [My Copy] N Engl J Med (21 May 2006) posted to ards fluid icu resp by bfr on 2006-06-15 18:22:41 as along with 3 people jufunkystyle djmonstermo ANB
	Advances in mechanical ventilation. [My Copy] The New England journal of medicine, Vol. 344, No. 26. (28 June 2001), pp. 1986-1996. by M. J. Tobin posted to icu resp review ventilation by bfr on 2006-02-23 03:44:12 as along with 2 people dcvanpelt dbs

Note: You may cite this page as: http://www.citeulike.org/tag/resp

parametrization	21
ab-initio	9
molecular_dynamics	9
dft	4
force_field	4
ventilation	3
dynamics	2
icu	2
modeling	2
molecular	2
population_analysis	2
amber	1
antechamber	1
ards	1
charges	1
chf	1
co2	1
confounds	1
dna	1
docking	1
fluid	1
fmri	1
force-fields	1
gaff	1
hr	1
oximetry	1
partial	1
retroicor	1
review	1
software	1
support	1
systematicreview	1
topotecan	1

Tag resp [25 articles] Export

Related Tags