dfgreen's force-fields [15 articles] Export

Recent papers added to dfgreen's library classified by the tag force-fields. You can also see everyone's force-fields.

	Comparison of simple potential functions for simulating liquid water [My Copy] The Journal of Chemical Physics, Vol. 79, No. 2. (1983), pp. 926-935. by William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura, Roger W. Impey, Michael L. Klein posted to force-fields monte-carlo water by dfgreen on 2009-01-09 02:01:48 as along with 17 people and 1 group jmparks fralium bmduggan kulinskii ibuch Lombardo_7 paddydu softsimu mleis ttjoseph ffranca easybakemuffin ashaytan RamuAnandakrishnan r2s2 pavanghatty Diego_Prada CMB
	CHARMM: A program for macromolecular energy, minimization, and dynamics calculations [My Copy] Journal of Computational Chemistry, Vol. 4, No. 2. (1983), pp. 187-217. by Bernard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson, David J. States, S. Swaminathan, Martin Karplus posted to dynamics force-fields molecular software by dfgreen on 2009-01-08 22:40:53 as along with 16 people ubcg08l flbarroso nickolay newton1234 kgutwin r2s2 rpetrenko oceanwind RamuAnandakrishnan tovrstra Lombardo_7 dgront mmuecke rabio saravan gisle
	Carbohydrate solution simulations: producing a force field with experimentally consistent primary alcohol rotational frequencies and populations. [My Copy] Journal of computational chemistry, Vol. 23, No. 13. (October 2002), pp. 1236-1243. by M. Kuttel, J. W. Brady, K. J. Naidoo posted to carbohydrate force-fields by dfgreen on 2009-01-08 22:39:23 as
	All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins† [My Copy] The Journal of Physical Chemistry B, Vol. 102, No. 18. (1 April 1998), pp. 3586-3616. by A. D. Mackerell, D. Bashford, M. Bellott, et al.R. L. Dunbrack, J. D. Evanseck, M. J. Field, S. Fischer, J. Gao, H. Guo, S. Ha, D. Joseph-Mccarthy, L. Kuchnir, K. Kuczera, F. T. K. Lau, C. Mattos, S. Michnick, T. Ngo, D. T. Nguyen, B. Prodhom, W. E. Reiher, B. Roux, M. Schlenkrich, J. C. Smith, R. Stote, J. Straub, M. Watanabe, J. Wiorkiewicz-Kuczera, D. Yin, M. Karplus posted to force-fields by dfgreen on 2009-01-08 22:38:00 as along with 12 people jmparks dsmueller rpetrenko jrperillaj Diego_Prada oceanwind mkrishna timg dimka ttjoseph papatonyhill ssomani
	An all-atom empirical energy function for the simulation of nucleic acids [My Copy] Journal of the American Chemical Society, Vol. 117, No. 48. (1 December 1995), pp. 11946-11975. by Alexander D. Mackerell, Joanna Wiorkiewicz-Kuczera, Martin Karplus posted to force-fields by dfgreen on 2009-01-08 22:37:05 as
	The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin [My Copy] Journal of the American Chemical Society, Vol. 110, No. 6. (1 March 1988), pp. 1657-1666. by William L. Jorgensen, Julian Tirado-Rives posted to force-fields by dfgreen on 2009-01-08 22:32:12 as along with 1 person LamBras
	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 force-fields by dfgreen on 2009-01-08 22:31:13 as along with 6 people Lombardo_7 softsimu coomteng flbarroso kgutwin pavanghatty
	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 force-fields by dfgreen on 2009-01-08 22:30:27 as along with 1 person pavanghatty
	Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids [My Copy] Journal of the American Chemical Society, Vol. 118, No. 45. (1 January 1996), pp. 11225-11236. by W. L. Jorgensen, D. S. Maxwell, J. Tirado-Rives posted to force-fields by dfgreen on 2009-01-08 22:28:38 as along with 9 people dimka snichols15 flbarroso tovrstra sunnytov BragilMassoud loison softsimu Diego_Prada
	An all atom force field for simulations of proteins and nucleic acids [My Copy] Journal of Computational Chemistry, Vol. 7, No. 2. (1986), pp. 230-252. by Scott J. Weiner, Peter A. Kollman, Dzung T. Nguyen, David A. Case posted to force-fields by dfgreen on 2009-01-08 22:28:02 as along with 2 people allmensch Elena_Zubova
	Effective pair potentials and the properties of water [My Copy] Chemical Physics, Vol. 131, No. 2-3. (15 March 1989), pp. 157-167. by K. Watanabe, M. L. Klein posted to force-fields water by dfgreen on 2009-01-08 22:17:26 as
	Balancing Solvation and Intramolecular Interactions: Toward a Consistent Generalized Born Force Field [My Copy] Journal of the American Chemical Society, Vol. 128, No. 11. (1 March 2006), pp. 3728-3736. by Jianhan Chen, Wonpil Im, Charles L. Brooks posted to force-fields generalized-born interactions solvation by dfgreen on 2009-01-08 21:57:21 as along with 5 people ckmyo oteri yxue onufriev bilab
	Solvation free energies calculated using the GB/SA model: Sensitivity of results on charge sets, protocols, and force fields [My Copy] Journal of Computational Chemistry, Vol. 19, No. 7. (1998), pp. 769-780. by Rami M. Reddy, Mark D. Erion, Atul Agarwal, Vellarkad N. Viswanadhan, Quentin D. Mcdonald, Clark W. Still posted to charges electrostatics force-fields generalized-born solvation by dfgreen on 2009-01-08 20:50:07 as along with 1 person mijam
	Optimized Radii for Poisson−Boltzmann Calculations with the AMBER Force Field [My Copy] Journal of Chemical Theory and Computation, Vol. 1, No. 3. (1 May 2005), pp. 484-493. by Jessica M. Swanson, Stewart A. Adcock, Andrew J. Mccammon posted to electrostatics force-fields solvation by dfgreen on 2009-01-08 20:17:34 as
	Investigating the Anomalous Solvation Free Energies of Amines with a Polarizable Potential [My Copy] The Journal of Physical Chemistry, Vol. 100, No. 6. (1 January 1996), pp. 2367-2371. by Elaine C. Meng, James W. Caldwell, Peter A. Kollman posted to force-fields solvation by dfgreen on 2009-01-08 19:36:19 as

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file-import-09-01-07b	274
electrostatics	96
protein	90
design	63
dynamics	47
molecular	47
ligand	46
solvation	44
binding	39
packing	19
quantum-mechanics	19
charges	18
optimization	18
free-energy	17
interactions	17
pka	17
review	17
perturbation	16
ab-initio	15
force-fields	15
generalized-born	13
hydrophobic	13
engineering	11
protein-protein	11
software	11
specificity	9
stability	9
poisson-boltzmann	7
structure	7
biopharmaceuticals	6
carbohydrate	6
conformational	6
docking	5
enzyme	5
biology	4
catalysis	4
dna	4
homology	4
preferences	4
sequence	4
systems	4
entropy	3
kinetics	3
linear-programming	3
quadratic-programming	3
semi-empirical	3
continuum-vdw	2
monte-carlo	2
protonation	2
rna	2
structure-prediction	2
visualization	2
water	2
action-at-a-distance	1
allostery	1
analysis	1
atp	1
brownian	1
calmodulin	1
dissociation	1
effect	1
electrochemistry	1
folding	1
g-protein	1
harmonics	1
hierarchicies	1
mean-field	1
membrane-association	1
phylogeny	1
proteomics	1
resistance	1
rna-protein	1
senstivity	1
text	1
vibrational	1

dfgreen's force-fields [15 articles] Export

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