BragilMassoud's forcefield [21 articles] Export

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	Accelerating molecular modeling applications with graphics processors [My Copy] Journal of Computational Chemistry, Vol. 28, No. 16. (25 September 2007), pp. 2618-2640. by John E. Stone, James C. Phillips, Peter L. Freddolino, David J. Hardy, Leonardo G. Trabuco, Klaus Schulten posted to energyfunctions forcefield gpu by BragilMassoud on 2007-09-28 16:56:49 as along with 9 people and 1 group ihaque naoya charris5 timg ruvido sobolevnrm yalexeev mikaellund afenley baker-group
	A semiempirical free energy force field with charge-based desolvation [My Copy] Journal of Computational Chemistry, Vol. 28, No. 6. (1 February 2007), pp. 1145-1152. by Ruth Huey, Garrett M. Morris, Arthur J. Olson, David S. Goodsell posted to solvation screening forcefield energyfunctions docking autodock by BragilMassoud on 2007-02-04 15:03:24 as along with 6 people and 1 group trishul nickolay joule oteri IrinaMoreira carlescorbi Structural Biology Group TorVergata
	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 William L. Jorgensen, David S. Maxwell, Julian Tirado-Rives posted to docking energyfunctions forcefield by BragilMassoud on 2006-05-23 12:54:51 as along with 9 people dimka snichols15 flbarroso tovrstra dfgreen sunnytov loison softsimu Diego_Prada
	Algorithm for normal mode analysis with general internal coordinates. [My Copy] J Comput Chem, Vol. 24, No. 7. (May 2003), pp. 826-841. by K. Kamiya, Y. Sugawara, H. Umeyama posted to forcefield internal_coordinates math md minimization nma qc by BragilMassoud on 2006-05-07 14:17:06 as
	An improved hydrogen bond potential: impact on medium resolution protein structures. [My Copy] Protein Sci, Vol. 11, No. 6. (June 2002), pp. 1415-1423. by F. Fabiola, R. Bertram, A. Korostelev, M. S. Chapman posted to docking energyfunctions forcefield hbond md by BragilMassoud on 2006-04-20 15:09:39 as along with 2 people chiufanlee anonymousarun
	The efficient optimization of molecular geometries using redundant internal coordinates [My Copy] The Journal of Chemical Physics, Vol. 117, No. 20. (2002), pp. 9160-9174. by Vebjorn Bakken, Trygve Helgaker posted to forcefield internal_coordinates math minimization qc by BragilMassoud on 2006-04-13 11:08:56 as
	Rapid calculation of first and second derivatives of conformational energy with respect to dihedral angles for proteins. General recurrent equations [My Copy] Computers & Chemistry, Vol. 8, No. 4. (1984), pp. 239-247. by H. Abe, W. Braun, T. Noguti, N. Go posted to forcefield internal_coordinates math md protein by BragilMassoud on 2006-03-17 10:55:53 as
	Quasi-Hamiltonian equations of motion for internal coordinate molecular dynamics of polymers [My Copy] Journal of Computational Chemistry, Vol. 18, No. 11. (1997), pp. 1354-1364. by Alexey Mazur posted to docking forcefield internal_coordinates math md by BragilMassoud on 2006-03-16 22:03:24 as
	Protein Folding: Computational Approaches to an Exponential-Time Problem [My Copy] Annual Review of Computer Science, Vol. 3 (1988), pp. 59-84. by George N. Reeke posted to forcefield minimization protein structure by BragilMassoud on 2006-03-12 17:12:04 as
	In quest of an empirical potential for protein structure prediction. [My Copy] Current opinion in structural biology, Vol. 16, No. 2. (6 April 2006), pp. 166-171. by J. Skolnick posted to abinitio forcefield protein structure by BragilMassoud on 2006-03-12 15:00:19 as along with 4 people flbarroso krapnik nigham bilab
	Torsion angle dynamics for NMR structure calculation with the new program D? [My Copy] Journal of Molecular Biology, Vol. 273, No. 1. (17 October 1997), pp. 283-298. by P. Güntert posted to forcefield math md protein structure by BragilMassoud on 2006-02-14 17:36:18 as along with 5 people dsmueller ras stharward babakap lna
	Torsion angle dynamics: Reduced variable conformational sampling enhances crystallographic structure refinement [My Copy] Proteins: Structure, Function, and Genetics, Vol. 19, No. 4. (August 1994), pp. 277-290. by Luke M. Rice, Axel T. Brünger posted to forcefield math md protein structure by BragilMassoud on 2006-02-14 17:29:46 as along with 1 person ras
	Icm: A New Method For Protein Modeling and Design: Applications To Docking and Structure Prediction From The Distorted Native Conformation [My Copy] Journal of Computational Chemistry, Vol. 15, No. 5. (1994), pp. 488-506. by Ruben Abagyan, Maxim Totrov, Dmitry Kuznetsov posted to docking forcefield math protein structure by BragilMassoud on 2006-02-13 22:03:36 as
	An alternative derivation of the equations of motion in torsion space for a branched linear chain. [My Copy] Protein Eng, Vol. 14, No. 11. (November 2001), pp. 825-828. by C. Bystroff posted to forcefield math protein structure by BragilMassoud on 2006-02-13 19:29:24 as
	Convergence properties of the Beale-Powell restart algorithm [My Copy] (1998) by Y. Dai, Y. Yuan posted to forcefield math minimization by BragilMassoud on 2006-01-08 16:39:36 as along with 1 person gagliol
	Force Fields and Minimization [My Copy] by George G. Stanley posted to forcefield ligands structure by BragilMassoud on 2006-01-05 16:24:39 as
	Empirical force fields for biological macromolecules: overview and issues. [My Copy] Journal of computational chemistry, Vol. 25, No. 13. (1 October 2004), pp. 1584-1604. by A. D. Mackerell posted to energyfunctions forcefield md by BragilMassoud on 2005-11-29 18:34:05 as along with 7 people and 3 groups flbarroso whitead marcius dgront loison mirzazadeh AndreaColetta Jiang Research Group BioinfoCIPF SGU-CIPF
	New formulation for derivatives of torsion angles and improper torsion angles in molecular mechanics: Elimination of singularities [My Copy] Journal of Computational Chemistry, Vol. 17, No. 9. (7 December 1998), pp. 1132-1141. by Arnaud Blondel, Martin Karplus posted to energyfunctions forcefield md by BragilMassoud on 2005-11-29 13:04:14 as along with 1 person nachtalp
	MESHI: a new library of Java classes for molecular modeling. [My Copy] Bioinformatics (16 August 2005) by Nir Kalisman, Ami Levi, Tetyana Maximova, et al.Dan Reshef, Sharon Zafriri-Lynn, Yan Gleyzer, Chen Keasar posted to forcefield ligands protein structure by BragilMassoud on 2005-08-26 09:06:47 as
	Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms [My Copy] Journal of the American Chemical Society, Vol. 99, No. 25. (7 December 1977), pp. 8127-8134. by Norman L. Allinger posted to forcefield ligands by BragilMassoud on 2005-07-20 15:18:53 as
	Validation of the general purpose tripos 5.2 force field [My Copy] Journal of Computational Chemistry, Vol. 10, No. 8. (7 September 2004), pp. 982-1012. by Matthew Clark, Richard D. Cramer, Nicole Van Opdenbosch posted to forcefield ligands by BragilMassoud on 2005-07-19 13:13:31 as along with 3 people Gershom nachtalp schlauchi

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robert	17
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md	13
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alignment	11
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actin	10
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gold	9
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machinelearning	5
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pts	4
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antibiotics	3
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brain	3
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ring_flipping	2
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bench_errors	1
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conforamtions	1
conformaations	1
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geometry	1
ghb	1
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kinase	1
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BragilMassoud's forcefield [21 articles] Export

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