BragilMassoud's math [35 articles] Export

Recent papers added to BragilMassoud's library classified by the tag math. You can also see everyone's math.

	On Random Rotations in $R^3$ [My Copy] Biometrika, Vol. 52, No. 3/4. (1965), pp. 636-639. by R. E. Miles posted to geometry math random rotation by BragilMassoud on 2008-10-31 19:03:19 as
	Managing bias in ROC curves. [My Copy] J Comput Aided Mol Des (7 February 2008) by Robert D. Clark, Daniel J. Webster-Clark posted to math roc screening statistics by BragilMassoud on 2008-02-10 12:21:30 as along with 1 person ihaque
	Improved sampling methods for molecular simulation. [My Copy] Curr Opin Struct Biol, Vol. 17, No. 2. (April 2007), pp. 187-191. by H. Lei, Y. Duan posted to math minimization protein review structure by BragilMassoud on 2007-05-08 13:33:48 as along with 3 people viktor21614 aqeel allmensch
	On Information and Sufficiency [My Copy] The Annals of Mathematical Statistics, Vol. 22, No. 1. (March 1951), pp. 79-86. by S. Kullback, R. Leibler posted to math statistics by BragilMassoud on 2007-03-31 17:10:24 as
	The mutual information: detecting and evaluating dependencies between variables. [My Copy] Bioinformatics, Vol. 18 Suppl 2 (2002) by R. Steuer, J. Kurths, C. O. Daub, J. Weise, J. Selbig posted to math statistics by BragilMassoud on 2007-03-17 15:48:49 as along with 8 people and 1 group arider1 kemalpak garyfeng anon_pl rsantana wongmld RobMills ebalp ReadingLab
	Estimating mutual information using B-spline functions - an improved similarity measure for analysing gene expression data [My Copy] BMC Bioinformatics, Vol. 5, No. 1. (2004), 118. by Carsten Daub, Ralf Steuer, Joachim Selbig, Sebastian Kloska posted to math statistics by BragilMassoud on 2007-03-17 15:48:11 as along with 2 people makrehchi mmunson
	Overview of damped least-squares methods for inverse kinematics of robot manipulators [My Copy] Journal of Intelligent and Robotic Systems, Vol. V14, No. 1. (1995), pp. 43-68. by Arati S. Deo, Ian D. Walker posted to minimization math internal_coordinates by BragilMassoud on 2007-02-07 15:47:03 as
	Gradient tabu search. [My Copy] J Comput Chem, Vol. 28, No. 2. (30 January 2007), pp. 601-611. by S. Stepanenko, B. Engels posted to math minimization by BragilMassoud on 2007-01-08 20:21:14 as along with 1 person and 1 group yongzhao TSRI_MGL
	Second derivatives in generalized Born theory. [My Copy] J Comput Chem, Vol. 27, No. 14. (15 November 2006), pp. 1662-1675. by R. A. Brown, D. A. Case posted to born electrostatics math solvation by BragilMassoud on 2006-09-26 13:34:35 as along with 2 people and 2 groups jwm onufriev Radiation_Damage Stressosome
	Efficient algorithms for 3D scan-conversion of parametric curves, surfaces, and volumes [My Copy] In SIGGRAPH '87: Proceedings of the 14th annual conference on Computer graphics and interactive techniques (1987), pp. 171-179. by Arie Kaufman posted to math ribbons spline visualization by BragilMassoud on 2006-09-02 13:42:26 as
	Optimization by Simulated Annealing [My Copy] Science, Number 4598, 13 May 1983, Vol. 220, 4598 (1983), pp. 671-680. by S. Kirkpatrick, C. D. Gelatt, M. P. Vecchi posted to math minimization by BragilMassoud on 2006-07-16 14:29:30 as along with 14 people ttjoseph filippone martinthesis mseise Bc91 ilapla markusd wvangeit andrewmercader fernandohbc slatre guxiyou pawelt dcastro
	Introduction to Traditional Geometry Optimization Methods [My Copy] (1999) by Ödön Farkas, H. B. Schlegel posted to internal_coordinates math md minimization qc by BragilMassoud on 2006-06-01 11:08:45 as
	Introduction to Inverse Kinematics with Jacobian Transpose, Pseudoinverse and Damped Least Squares methods [My Copy] (17 April 2004) by Samuel R. Buss posted to internal_coordinates math by BragilMassoud on 2006-05-31 10:55:25 as
	An Introduction to the Conjugate Gradient Method Without the Agonizing Pain [My Copy] (August 1994) by Jonathan R. Shewchuk posted to math minimization by BragilMassoud on 2006-05-29 11:03:00 as
	Structure and Interpretation of Classical Mechanics [My Copy] (2001) by Gerald J. Sussman, Jack Wisdom posted to internal_coordinates math mechanics physics by BragilMassoud on 2006-05-28 20:22:03 as
	Numerical Recipes in C [My Copy] (1992), pp. 408-412. by William H. Press, Saul A. Teukolsky, William T. Vetterling, Brian P. Flannery posted to math minimization by BragilMassoud on 2006-05-28 20:05:59 as
	Numerical Recipes in C [My Copy] (1992), pp. 420-425. by William H. Press, Saul A. Teukolsky, William T. Vetterling, Brian P. Flannery posted to math minimization by BragilMassoud on 2006-05-28 20:05:50 as
	A discussion of the solution for the best rotation to relate two sets of vectors [My Copy] Acta Crystallographica, Vol. A34, No. 5. (1978), pp. 827-828. by W. Kabsch posted to math superposition by BragilMassoud on 2006-05-28 17:02:47 as
	A solution for the best rotation to relate two sets of vectors [My Copy] Acta Crystallographica, Vol. A32, No. 5. (1976), pp. 922-923. by W. Kabsch posted to math superposition by BragilMassoud on 2006-05-28 17:01:40 as
	Uniform Random Rotations [My Copy] In Graphics Gems III (1994), pp. 124-132. by K. Shoemake edited by D. Kirk posted to math quaternion visualization by BragilMassoud on 2006-05-23 14:16:29 as
	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
	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
	User Interaction with CAD Models with Nonholonomic Parametric Surface Constraints [My Copy] In Proc. 7th Annual Symp. on Haptic Interfaces for Virtual Environment and Teleoperator Systems by Donald D. Nelson, Elaine Cohen posted to math quaternion by BragilMassoud on 2006-04-11 16:38:48 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
	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
	Partial molecular alignment via local structure analysis [My Copy] J Chem Inf Comput Sci, Vol. 40, No. 2. (March 2000), pp. 503-512. by D. D. Robinson, P. D. Lyne, W. G. Richards posted to math superposition by BragilMassoud on 2006-01-30 20:31:49 as
	Procrustes rotation in analytical chemistry, a tutorial [My Copy] Chemometrics and Intelligent Laboratory Systems, Vol. 72 (2004), pp. 123-132. by Jose M. Andradea, Maria Gomez-Carracedoa, Wojtek Krzanowskib, Mikael Kubista posted to docking math superposition by BragilMassoud on 2006-01-30 20:26:58 as
	A Genetic Algorithm with Dynamic Niche Clustering for Multimodal Function Optimisation [My Copy] (1998) by J. Gan, Kevin Warwick posted to docking ga math by BragilMassoud on 2006-01-30 12:44:11 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
	A New $O(n^2)$ Algorithm for the Symmetric Tridiagonal Eigenvalue/Eigenvector Problem [My Copy] (May 1997) by I. S. Dhillon posted to math nma by BragilMassoud on 2005-12-14 17:12:11 as
	Iterative methods for sparse linear systems [My Copy] (2000) by Yousef Saad posted to math nma by BragilMassoud on 2005-12-10 16:48:53 as

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docking	175
structure	91
protein	89
screening	84
pharmacology	43
energyfunctions	42
review	38
math	35
nma	25
affinity	22
forcefield	21
kinases	21
ligands	20
flexible_protein	18
minimization	18
robert	17
db	13
hts	13
md	13
visualization	13
internal_coordinates	12
alignment	11
superposition	11
actin	10
electrostatics	9
gold	9
evolution	8
kinesin	7
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dehydron	6
design	6
solvation	6
cavities	5
flexx	5
machinelearning	5
mc	5
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statistics	5
stun	5
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pts	4
qc	4
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antibiotics	3
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benchmark	3
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brain	3
comment	3
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est	3
fingerprints	3
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inversescreening	3
physics	3
ribbons	3
roc	3
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born	2
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ga	2
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quaternion	2
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adme	1
affinitiy	1
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antidepressants	1
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bias	1
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conforamtions	1
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BragilMassoud's math [35 articles] Export

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