tomweingarten's library 103 articles Export

	Multiscale Modeling of Proteins [My Copy] Accounts of Chemical Research, Vol. 0, No. 0. (0000) by Valentina Tozzini posted to no-tag by tomweingarten on 2009-10-05 18:17:11 as along with 2 people qshao paulschlesinger
	Molecular Renormalization Group Coarse-Graining of Electrolyte Solutions: Application to Aqueous NaCl and KCl [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 22. (4 June 2009), pp. 7785-7793. by Alexey Savelyev, Garegin A. Papoian posted to no-tag by tomweingarten on 2009-09-23 17:08:41 as along with 2 people and 1 group agrossfield sobolevnrm baker-group
	The multiscale coarse-graining method. IV. Transferring coarse-grained potentials between temperatures [My Copy] The Journal of Chemical Physics, Vol. 131, No. 2. (2009), 024103. by Vinod Krishna, Will G. Noid, Gregory A. Voth posted to no-tag by tomweingarten on 2009-08-26 18:34:06 as along with 2 people sobolevnrm agrossfield
	The multiscale coarse-graining method. III. A test of pairwise additivity of the coarse-grained potential and of new basis functions for the variational calculation [My Copy] The Journal of Chemical Physics, Vol. 131, No. 3. (2009), 034102. by Avisek Das, Hans C. Andersen posted to force-fields fmm coarse-grain by tomweingarten on 2009-08-26 18:33:57 as along with 3 people sobolevnrm dlimmer agrossfield
	Evaluating conformational free energies: the colony energy and its application to the problem of loop prediction. [My Copy] Proc Natl Acad Sci U S A, Vol. 99, No. 11. (28 May 2002), pp. 7432-7437. by Z. Xiang, C. S. Soto, B. Honig posted to no-tag by tomweingarten on 2009-05-27 17:00:47 as along with 2 people and 1 group vavi yongzhao TSRI_MGL
	Molecular Renormalization Group Coarse-Graining of Polymer Chains: Application to Double-Stranded DNA [My Copy] Vol. 96, No. 10. (20 May 2009), pp. 4044-4052. by Alexey Savelyev, Garegin A. Papoian posted to no-tag by tomweingarten on 2009-05-27 16:41:08 as along with 2 people onufriev Elena_Zubova
	A simple model for the intermolecular potential of water [My Copy] The Journal of Chemical Physics, Vol. 83, No. 12. (1985), pp. 6367-6370. by D. Bratko, L. Blum, A. Luzar posted to no-tag by tomweingarten on 2009-05-18 16:48:27 as
	Distilling Free-Form Natural Laws from Experimental Data [My Copy] Science, Vol. 324, No. 5923. (3 April 2009), pp. 81-85. by Michael Schmidt, Hod Lipson posted to no-tag by tomweingarten on 2009-05-12 18:45:25 as along with 36 people vgauthier marcio tomhebbron cjryan CulCog Shirakawa doncieux ocs mbaluda leliavski dpf davidcsterratt ansobol Scis0000002 dimatura phoenixzxl dullhunk muraken katiehumphry sebwills xtizon tyrell_turing subhacom sen_cheng coela uhland qwermish VGreiff Benja stober behindtherabbit Fortran deanmalmgren fgibson neils jbhiatt
	Systematic Coarse-graining of a Multicomponent Lipid Bilayer [My Copy] The Journal of Physical Chemistry B, Vol. 0, No. 0. (0000) by Lanyuan Lu, Gregory Voth posted to coarse-grain fmm lipid ms-cg by tomweingarten on 2009-01-20 23:08:59 as along with 2 people and 1 group sobolevnrm agrossfield baker-group
	A Bayesian statistics approach to multiscale coarse graining [My Copy] The Journal of Chemical Physics, Vol. 129, No. 21. (2008), 214114. by Pu Liu, Qiang Shi, Hal Daumé, III, Gregory A. Voth posted to no-tag by tomweingarten on 2008-12-11 16:01:35 as along with 1 person bertelsen
	Using neural networks, optimized coordinates, and high-dimensional model representations to obtain a vinyl bromide potential surface [My Copy] The Journal of Chemical Physics, Vol. 129, No. 22. (2008) by Sergei Manzhos, Jr posted to no-tag by tomweingarten on 2008-12-11 16:01:26 as
	Water Modeled As an Intermediate Element between Carbon and Silicon [My Copy] Journal of Physical Chemistry B (2008) by Valeria Molinero, Emily B. Moore posted to coarse-grain force-fields multiple-body-potential tetrahedral water by tomweingarten on 2008-11-10 21:46:02 as
	The relative entropy is fundamental to multiscale and inverse thermodynamic problems [My Copy] The Journal of Chemical Physics, Vol. 129, No. 14. (2008) by Scott M. Shell posted to coarse-grain inverse-problem inverse-thermodynamic multiscale relative-entropy by tomweingarten on 2008-10-15 21:29:23 as
	Molecular dynamics simulations at constant pressure and/or temperature [My Copy] The Journal of Chemical Physics, Vol. 72, No. 4. (1980), pp. 2384-2393. by Hans C. Andersen posted to no-tag by tomweingarten on 2008-10-07 21:15:29 as along with 4 people Lombardo_7 and_ped10 OndrejMarsalek 6rheology
	On the performance of molecular polarization methods. II. Water and carbon tetrachloride close to a cation [My Copy] The Journal of Chemical Physics, Vol. 123, No. 16. (2005) by Marco Masia, Michael Probst, Rossend Rey posted to polarization water by tomweingarten on 2008-10-01 20:04:00 as
	Effective potentials from complex simulations: a potential-matching algorithm and remarks on coarse-grained potentials [My Copy] Journal of Physics: Condensed Matter, Vol. 19, No. 33. (2007) by G. Tóth posted to no-tag by tomweingarten on 2008-10-01 19:48:58 as
	SCE001267 [My Copy] (2003) posted to no-tag by tomweingarten on 2008-10-01 19:48:58 as
	Molecular polarizabilities calculated with a modified dipole interaction [My Copy] Chemical Physics, Vol. 59 (aug 1981), pp. 341-350. by B. Thole posted to no-tag by tomweingarten on 2008-10-01 19:48:58 as
	Density dependent potentials: structure and thermodynamics. [My Copy] The Journal of chemical physics, Vol. 127, No. 5. (2007) by Samy Merabia, Ignacio Pagonabarraga posted to no-tag by tomweingarten on 2008-10-01 19:48:58 as
	t0059 [My Copy] posted to no-tag by tomweingarten on 2008-10-01 19:48:58 as
	A multiscale coarse-graining method for biomolecular systems [My Copy] J. Phys. Chem. B, Vol. 109, No. 7. (2005), pp. 2469-2473. by S. Izvekov, G. A. Voth posted to no-tag by tomweingarten on 2008-10-01 19:48:58 as
	Representability problems for coarse-grained water potentials. [My Copy] The Journal of chemical physics, Vol. 126, No. 14. (2007) by Margaret E. Johnson, Teresa H. Gordon, Ard A. Louis posted to no-tag by tomweingarten on 2008-10-01 19:48:58 as
	JChemPhys_74_3316-1 [My Copy] (2008) posted to no-tag by tomweingarten on 2008-10-01 19:48:58 as
	Coarse-graining limits in open and wall-bounded dissipative particle dynamics systems. [My Copy] The Journal of chemical physics, Vol. 124, No. 18. (2006) by Igor V. Pivkin, George E. Karniadakis posted to no-tag by tomweingarten on 2008-10-01 19:48:58 as
	JChemPhys_56_4213 [My Copy] (2008) posted to no-tag by tomweingarten on 2008-10-01 19:48:58 as
	Effective thermostat induced by coarse-graining of SPC water [My Copy] (2008) by Anders Eriksson, Martin N. Jacobi, Johan Nystrom, Kolbjorn Tunstrom posted to no-tag by tomweingarten on 2008-10-01 19:48:58 as
	New parametrization method for dissipative particle dynamics. [My Copy] The Journal of chemical physics, Vol. 127, No. 1. (2007) by Karl P. Travis, Mark Bankhead, Kevin Good, Scott L. Owens posted to no-tag by tomweingarten on 2008-10-01 19:48:58 as
	The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models [My Copy] The Journal of Chemical Physics, Vol. 128, No. 24. (2008) by W. G. Noid posted to no-tag by tomweingarten on 2008-10-01 19:48:58 as
	The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models [My Copy] The Journal of Chemical Physics, Vol. 128, No. 24. (2008) by W. G. Noid posted to no-tag by tomweingarten on 2008-10-01 19:48:58 as
	Emerging methods for multiscale simulation of biomolecular systems [My Copy] Molecular Physics, Vol. 105, No. 2. (2007) by J. W. Chu posted to no-tag by tomweingarten on 2008-10-01 19:48:58 as
	TESTING FOR SERIAL CORRELATION IN LEAST SQUARES REGRESSION. I [My Copy] Biometrika, Vol. 37, No. 3-4. (1950), pp. 409-428. by J. Durbin, G. S. Watson posted to no-tag by tomweingarten on 2008-10-01 19:48:58 as
	ja11225 [My Copy] posted to no-tag by tomweingarten on 2008-10-01 19:48:58 as
	A coarse grain model for phospholipid simulations [My Copy] J. Phys. Chem. B, Vol. 105, No. 19. (2001), pp. 4464-4470. by J. C. Shelley, M. Y. Shelley, R. C. Reeder, S. Bandyopadhyay, M. L. Klein posted to no-tag by tomweingarten on 2008-10-01 19:48:58 as
	Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids [My Copy] Q. ReV. Biophys, Vol. 26 (1993) by W. L. Jorgensen, D. S. Maxwell, Tirado J. Rives posted to no-tag by tomweingarten on 2008-10-01 19:48:58 as
	Multiscale coarse-graining and structural correlations: connections to liquid state theory [My Copy] J. Phys. Chem. B, Vol. 111, No. 16. (2007), pp. 4116-4127. by W. G. Noid, J. W. Chu, G. S. Ayton, G. A. Voth posted to no-tag by tomweingarten on 2008-10-01 19:48:58 as
	Energetics of Brownian motors: a review [My Copy] Applied Physics A: Materials Science & Processing, Vol. 75, No. 2. (2002), pp. 179-191. by J. M. R. Parrondo, B. J. de Cisneros posted to no-tag by tomweingarten on 2008-10-01 19:48:58 as
	GROMACS 3.0: a package for molecular simulation and trajectory analysis [My Copy] Journal of Molecular Modeling, Vol. 7, No. 8. (2001), pp. 306-317. by E. Lindahl, B. Hess, D. van der Spoel posted to no-tag by tomweingarten on 2008-10-01 19:48:57 as
	GROMACS: A message-passing parallel molecular dynamics implementation [My Copy] Computer Physics Communications, Vol. 91, No. 1-3. (1995), pp. 43-56. by H. J. C. Berendsen, D. van der Spoel, R. van Drunen posted to no-tag by tomweingarten on 2008-10-01 19:48:57 as
	GROMACS: fast, flexible, and free [My Copy] J. Comput. Chem, Vol. 26, No. 16. (2005), pp. 1701-1718. by D. van der Spoel, E. Lindahl, B. Hess, G. Groenhof, A. E. Mark, H. J. C. Berendsen posted to no-tag by tomweingarten on 2008-10-01 19:48:57 as
	Calculation of effective interaction potentials from radial distribution functions: A reverse Monte Carlo approach [My Copy] Phys. Rev. E, Vol. 52, No. 4. (Oct 1995), pp. 3730-3737. by Alexander P. Lyubartsev, Aatto Laaksonen posted to no-tag by tomweingarten on 2008-10-01 19:48:57 as
	On Coarse-Graining by the Inverse Monte Carlo Method: Dissipative Particle Dynamics Simulations Made to a Precise Tool in Soft Matter Modeling [My Copy] Soft Materials, Vol. 1, No. 1. (2002), pp. 121-137. by A. P. Lyubartsev, M. Karttunen, I. Vattulainen, A. Laaksonen posted to no-tag by tomweingarten on 2008-10-01 19:48:57 as
	How would you integrate the equations of motion in dissipative particle dynamics simulations? [My Copy] Computer Physics Communications, Vol. 153, No. 3. (2003), pp. 407-423. by P. Nikunen, M. Karttunen, I. Vattulainen posted to no-tag by tomweingarten on 2008-10-01 19:48:57 as
	Molecular dynamics simulations at constant pressure and/or temperature [My Copy] The Journal of Chemical Physics, Vol. 72, No. 4. (1980), pp. 2384-2393. by Hans C. Andersen posted to computerized-simulation equation-of-motion fluids numerical-solution structure-factors thermodynamic-properties time-dependence by tomweingarten on 2008-10-01 19:48:57 as
	An alternative approach to dissipative particle dynamics [My Copy] Europhysics Letters, Vol. 47, No. 2. (1999), pp. 145-151. by C. P. Lowe posted to no-tag by tomweingarten on 2008-10-01 19:48:57 as
	Mapping All-Atom Models onto One-Bead Coarse-Grained Models: General Properties and Applications to a Minimal Polypeptide Model [My Copy] J. Chem. Theory Comput, Vol. 2, No. 3. (2006), pp. 667-673. by V. Tozzini, W. Rocchia, J. A. Mccammon posted to no-tag by tomweingarten on 2008-10-01 19:48:57 as
	Energy Conservation in Adaptive Hybrid Atomistic/Coarse-Grain Molecular Dynamics [My Copy] J. Chem. Theory Comput, Vol. 3, No. 3. (2007), pp. 1100-1105. by B. Ensing, S. O. Nielsen, P. B. Moore, M. L. Klein, M. Parrinello posted to no-tag by tomweingarten on 2008-10-01 19:48:57 as
	Adaptive molecular resolution via a continuous change of the phase space dimensionality. [My Copy] Phys Rev E Stat Nonlin Soft Matter Phys, Vol. 75, No. 1 Pt 2. (2007) by M. Praprotnik, K. Kremer, L. Delle Site posted to no-tag by tomweingarten on 2008-10-01 19:48:57 as
	Equation of motion for coarse-grained simulation based on microscopic description [My Copy] Physical Review E, Vol. 75, No. 5. (2007) by T. Kinjo, S. Hyodo posted to no-tag by tomweingarten on 2008-10-01 19:48:57 as
	Exploring Global Motions and Correlations in the Ribosome [My Copy] Biophysical Journal, Vol. 89, No. 3. (2005), pp. 1455-1463. by J. Trylska, V. Tozzini, J. A. Mccammon posted to no-tag by tomweingarten on 2008-10-01 19:48:57 as
	A coarse grain model for phospholipid simulations [My Copy] J. Phys. Chem. B, Vol. 105, No. 19. (2001), pp. 4464-4470. by J. C. Shelley, M. Y. Shelley, R. C. Reeder, S. Bandyopadhyay, M. L. Klein posted to no-tag by tomweingarten on 2008-10-01 19:48:57 as

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coarse-grain	4
fmm	2
force-fields	2
water	2
accuracy	1
calculation-methods	1
cartesian-coordinates	1
computerized-simulation	1
coulomb-field	1
equation-of-motion	1
errors	1
euclidean-space	1
fluids	1
forces	1
fourier-transformation	1
functions	1
interpolation	1
inverse-problem	1
inverse-thermodynamic	1
ionic-crystals	1
lipid	1
ms-cg	1
multiple-body-potential	1
multiscale	1
numerical-solution	1
polarization	1
relative-entropy	1
structure-factors	1
tetrahedral	1
thermodynamic-properties	1
time-dependence	1
vectors	1

tomweingarten's library 103 articles Export

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