hmk's molecular_dynamics [12 articles] Export

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	Unified Approach for Molecular Dynamics and Density-Functional Theory [My Copy] Physical Review Letters, Vol. 55, No. 22. (Nov 1985), pp. 2471-2474. by R. Car, M. Parrinello posted to free_energy molecular_dynamics physics quantum_physics by hmk on 2008-04-10 07:07:29 as along with 5 people and 1 group moldyn_ich whitead gferencz and_ped10 eyliu Jiang Research Group
	A new class of models for computing receptor-ligand binding affinities [My Copy] Chemistry & Biology, Vol. 4, No. 2. (1997), pp. 87-92. by Michael K. Gilson, James A. Given, Martha S. Head posted to free_energy molecular_dynamics protein_protein_interactions by hmk on 2008-04-03 20:40:59 as
	The statistical-thermodynamic basis for computation of binding affinities: a critical review. [My Copy] Biophys J, Vol. 72, No. 3. (March 1997), pp. 1047-1069. by M. K. Gilson, J. A. Given, B. L. Bush, J. A. McCammon posted to entropy free_energy molecular_dynamics physics protein_structure review by hmk on 2008-04-03 20:07:07 as along with 3 people and 2 groups dfgreen ssomani cchang structure-bii Chang group
	Calculation of the Entropy and Free Energy from Monte Carlo Simulations of a Peptide Stretched by an External Force [My Copy] J. Phys. Chem. B, Vol. 109, No. 46. (24 November 2005), pp. 21963-21970. by S. Cheluvaraja, H. Meirovitch posted to data entropy free_energy molecular_dynamics protein_structure by hmk on 2008-04-03 19:54:33 as
	Framework for kernel regularization with application to protein clustering [My Copy] Proceedings of the National Academy of Sciences, Vol. 102, No. 35. (30 August 2005), pp. 12332-12337. by Fan Lu, Sunduz Keles, Stephen J. Wright, Grace Wahba posted to alternatives data dynamics molecular_dynamics protein_structure by hmk on 2007-12-25 01:10:04 as
	Can a physics-based, all-atom potential find a protein's native structure among misfolded structures? I. Large scale AMBER benchmarking [My Copy] Journal of Computational Chemistry, Vol. 28, No. 12. (2007), pp. 2059-2066. by Liliana Wroblewska, Jeffrey Skolnick posted to alternatives data decoy decoy_detection free_energy molecular_dynamics by hmk on 2007-12-12 16:49:46 as along with 1 person pawelp
	Ensemble versus single-molecule protein unfolding. [My Copy] Proc Natl Acad Sci U S A, Vol. 102, No. 38. (20 September 2005), pp. 13445-13450. by R. Day, V. Daggett posted to data ensemble molecular_dynamics by hmk on 2007-12-09 05:25:34 as along with 2 people bilab choonpeng
	Wordom: a program for efficient analysis of molecular dynamics simulations [My Copy] Bioinformatics, Vol. 23, No. 19. (1 October 2007), pp. 2625-2627. by Michele Seeber, Marco Cecchini, Francesco Rao, Giovanni Settanni, Amedeo Caflisch posted to alternatives molecular_dynamics protein_folding by hmk on 2007-12-09 05:02:58 as along with 6 people and 2 groups guhjy barry tmmurali choonpeng sobolevnrm LamBras structural_bioinformatics baker-group
	Coarse-Grained Biomolecular Simulation with REACH: Realistic Extension Algorithm via Covariance Hessian☆ [My Copy] Biophysical Journal, Vol. 93, No. 10. (15 November 2007), pp. 3460-3469. by K. Moritsugu, J. Smith posted to alternatives graphical_models molecular_dynamics protein_folding by hmk on 2007-12-09 03:09:17 as along with 5 people and 1 group edws Diego_Prada aqeel sobolevnrm choonpeng baker-group
	High-throughput modeling and analysis of protein structural dynamics [My Copy] Brief Bioinform, Vol. 8, No. 6. (1 November 2007), pp. 432-445. by Xiong Liu, Hassan A. Karimi posted to alternatives data molecular_dynamics protein_structure by hmk on 2007-12-09 02:50:59 as along with 1 person aqeel
	A consensus view of protein dynamics [My Copy] Proceedings of the National Academy of Sciences, Vol. 104, No. 3. (16 January 2007), pp. 796-801. by Manuel Rueda, Carles Ferrer-Costa, Tim Meyer, et al.Alberto Pérez, Jordi Camps, Adam Hospital, Josep L. Gelpí, Modesto Orozco posted to data dynamics graphical_models molecular_dynamics by hmk on 2007-12-09 02:49:20 as along with 14 people and 1 group Diego_Prada bmduggan lna dimka aqeel aswin rabio grahamc zwang biehl Ema phoenixzxl ras LamBras The BMM Dome
	Single-Molecule Dynamics Reveals Cooperative Binding-Folding in Protein Recognition [My Copy] PLoS Computational Biology, Vol. 2, No. 7. (1 July 2006), e78. by Jin Wang, Qiang Lu, Peter H. Lu posted to dynamics molecular_dynamics by hmk on 2007-12-07 03:51:09 as along with 1 person imthaone616

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protein_structure	58
free_energy	32
data	29
graphical_models	17
alternatives	16
decoy_detection	13
molecular_dynamics	12
protein_protein_interactions	11
molecular_mechanics	11
physics	10
inference	9
docking	8
side_chain_prediction	8
statistics	8
entropy	6
protein_design	6
protein_folding	6
decoy	4
protein_fold	4
dynamics	4
hivpr	3
hiv	3
binding	3
ensemble	3
drug_design	3
nmr	2
marginal_map	2
review	2
symbolic_encoding	2
conformational_entropy	2
industry	2
backbone	2
rotamer_library	2
systems_biology	2
analysis	2
continuous_model	1
crf	1
challenges	1
quantum_physics	1
library	1
protein_dna	1
math	1
probability	1
code	1
information_theory	1
hivprdata	1
advice	1
pharma	1
mcmc	1
drug_discovery	1
allostery	1
loops	1
ligand_binding	1
backrub	1
jaynes	1
genetics	1
sampling	1
camp	1

hmk's molecular_dynamics [12 articles] Export

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