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	Generalized-ensemble algorithms: enhanced sampling techniques for Monte Carlo and molecular dynamics simulations [My Copy] Journal of Molecular Graphics and Modelling In Conformational Sampling, Vol. 22, No. 5. (May 2004), pp. 425-439. by Yuko Okamoto posted to md monte_carlo sampling by lillekatt on 2007-11-25 12:18:05 as along with 1 person Sylvain_Prigent
	Molecular dynamics simulations and thermodynamics analysis of DNA-drug complexes. Minor groove binding between 4',6-diamidino-2-phenylindole and DNA duplexes in solution. [My Copy] J Am Chem Soc, Vol. 125, No. 7. (19 February 2003), pp. 1759-1769. by N. Spacková, T. E. Cheatham, F. Ryjácek, et al.F. Lankas, L. Van Meervelt, P. Hobza, J. Sponer posted to dna-protein md by lillekatt on 2007-11-25 10:47:02 as
	Structural insights into the effect of isonucleosides on B-DNA duplexes using molecular-dynamics simulations. [My Copy] J Mol Model, Vol. 12, No. 6. (September 2006), pp. 781-791. by H. Jin, S. Zheng, Z. Wang, et al.C. Luo, J. Shen, H. Jiang, L. Zhang, L. Zhang posted to dna md by lillekatt on 2007-11-25 10:44:29 as
	Predictive modelling of topology and loop variations in dimeric DNA quadruplex structures. [My Copy] Nucleic Acids Res, Vol. 34, No. 7. (2006), pp. 2117-2127. by P. Hazel, G. N. Parkinson, S. Neidle posted to dna md modelling by lillekatt on 2007-11-25 10:39:49 as
	Molecular dynamics with coupling to an external bath [My Copy] The Journal of Chemical Physics, Vol. 81, No. 8. (1984), pp. 3684-3690. by H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. Dinola, J. R. Haak posted to md temperature by lillekatt on 2007-11-25 09:39:22 as along with 13 people and 1 group loison georgwachter A_Coletta_Thesis rdf r2s2 dsmueller Lombardo_7 gsub allmensch jwagoner tji choonpeng jteyra Structural Biology Group TorVergata
	A smooth particle mesh Ewald method [My Copy] The Journal of Chemical Physics, Vol. 103, No. 19. (1995), pp. 8577-8593. by Ulrich Essmann, Lalith Perera, Max L. Berkowitz, Tom Darden, Hsing Lee, Lee G. Pedersen posted to md pme by lillekatt on 2007-11-25 08:19:26 as along with 16 people and 2 groups krapnik jmparks rpetrenko A_Coletta_Thesis r2s2 charris5 pavanghatty sobolevnrm choonpeng and_ped10 easybakemuffin RamuAnandakrishnan ashaytan mikaellund 6rheology jteyra Structural Biology Group TorVergata baker-group
	Estimating entropies from molecular dynamics simulations [My Copy] Journal of Chemical Physics, Vol. 120, No. 6. (8 February 2004), pp. 2652-2661. by Christine Peter, Chris Oostenbrink, Arthur van Dorp, Wilfred van Gunsteren posted to entropy md by lillekatt on 2006-06-19 13:40:12 as
	A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules [My Copy] J. Am. Chem. Soc., Vol. 117 (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 rna md force_field by lillekatt on 2006-05-30 16:08:29 as along with 944 people and 149 groups Schopfel Turambar bnkde lauratest pkt thegoose berylschaefer Venu convulted nina4citeulike AJCann smccord chethrington NitinCR Compartia MariekeVanWamel cvq gurprit_raunu refkit fordela Thaverkamp kennedie yuichi1004 sheshebrown marinari eunsugee derchao yse guhjy alexloh80 Zaraitzu RMT Shindy Biomedyknight lesikv TomQ pyjamashark Becky_Shen RandolphCarter LaurieEMiller skolaric smogit apokgmc ldietz ibbuntu bleong mansaok nnikolaj jyew christianholz lottebelice m8eld1989 mchinen magalb Xountini gimpf watersiren cwtjoa agogoh3 samanthahut rsilveira79 andresmh kgutwin thyk bernstei waghsk kimlab mlovelace BioNica diomede tulaydemir doncieux szielke daniel_pang paulducker thomast3 brothers hplatero suneilmohan bazza030 jjray jimjoe IulianGherghel pnauer jhibbits alexstorer chem-pion ImranRaoufMalik lisa1 Evangelia jorgen 100155430 z3phyr micha137 uperinetti jsenn antistarlet Alemohammad DonIvanCorleone Calder viveknallur emiliorp kdouglass hotnuts embersp frdr nlafferty pkm lupianiedu APSLuppa raik MarcJungbluth tyrell_turing bertrandservin cswinburne amarois JSicot diamantis reyez guano lizbiogen xistenshal hdopazo christian_librarian sharonazzopardi kozima lionicebear coco0214 ndegara hyhu84 erevans benmiller314 octobremtl kroatiker kightley torresan nkishan RalfMitschke Growlingfish georgenichols eddymier enricaki udivi sjgaller arnavjhala gferencz sgroenewegen asalvadori hideojoho ChristianRauh richpb7 JonathanD bsuter nshephard axin mount_misery isp tfogal pwais splzdnkl jszekely rodney baaklini lynnefox tertel raposoc swatipendyala kentz hdz majdula dabilock Ubiquitousuk ChaTo karin ivanshi tyvokka tnhh turadg scalptob Torsten_Holmer Rootsister frauta jspeer jmetz ejmeij pblanchenay dhbradshaw ecome soeleadership mederly JLMC sbutterfill rsimitev theshadowhost standara chiayung stajich sannama softsimu vlado CameronNeylon emmackinnon fbr susz mazsx cveres johnabender HugoMarcelo dlobo fernand0 dperkel egh samth sora florine ladygoat hopm hellige parmentierf ssn mortimer tinkha V plaugg ansobol mjaz berthelemy eldan pdlug zephoria carloscabanillas Janos bkliethermes nazareno elsantosneto januadiaboli yaroslavvb jurijmlotman geomblog srl bigga treycausey CSG mcphee chandrashekar denns matzke sherrivokey sona cassj lijil hlovise coolger bigmagpie alicetiara yorgos johannsen cavlec smbrower viller mlzafron tymmail mtruksa pauldobson qbin1304 fluffels loison CVLab BiebmiepLeen marcusbm dumpa afrojapchick asmusolsen jjrodriguez UFGeog mitchee3 rodrigobotelho nealpfox gofsu0 pmaire soloaries HrRossi nschwart derkaiser athma alexbdigital amaitos ejones caitlinshanley lunarmono jblosnich willfox sedging davidr macowell eimaj42jdp Flit BenWillems agallet hawesie sngourlay jolilius rmagf acer ville garyfeng danifazzio willwade gantlord melanieramage mgregg cwb neteler carneym crispinb rdlong davemack agarza carsonr imcdnzl tjimenez Tolik lna szityu michmill P2324548 jpbenda Vaccine tadm mkwalker anar grzegorz japple planetoid okarsligil stormybriggs UWerplab nbr inbetweener pafmon stina pgastrein xiruela kutabar jfr xamde kliether mleis jshahin cmunson lfriedl sharonhoward ccots terraces czlamer brent_lance subhradeep Jellyfish cmmorel bayesian benavides ghsalazar manuelpq sekulerlab jmaryott kristina chad_davis Ayest thens RMGraze e2holmes JAShapiro contradictoryben lrodero jamesfournie nybon hawkestein diegolino_veneziano rvosa Schmidtc lyongu ricmilne KarinaFigueroa jfmenudet cdmilligan great_apes brthz juliajumeau gloinf billwolff mrkrause halsnalle pintman yish mkcerusky cyph3r idm smithco ruudvanleeuwen BarrosH aelva harshpshah earnoux princessbritty Laki kupopo ryang eustatic daqing stain matts ram frankgrimes Pfaff9 locatellimp seawidget ianli kate_waxlyrical rherring ThomasEtEckert cliona shaun gregnishihara harmonjt Happybene jklugman mwyarbro rburnett prabakaran nperrin tystl gugek NicolasNeubauer gytisc Nele pedagogicapprentice dlouzeck phillipkent emerson rafamayo arichar6 pasion sadsackmac gbae redcourgette sunilbajpai JJNonesuch heintz BuckeyePhysicist bretblosser charlesijones term madhadron ypeter cmm agraham yijisoo jberro peaksun balabu djsaab crumj garypearce rinelk plashkes PaulB charlescearl p2p-sec langec tuaba os252 JonathanFeinberg jingliu dvoigt hywel tshr dgront isorhiza foistudy jenine donade kmcolo fisherp voiklis insilico fitzgeraldsteele junoda sumeetonweb familydoc craigtalbert dmitri83 dmboyer martint RalphPutnam atsu-kan hlwoodcock reta gogabr smmurphy rafabravo dabhishe JennaW hisashim cjones chuggins ptrobajo tenalka stringertheory muli Sulpicus ranb alikocho hiromark gane5h l-alex rdiaz pilho ueberweise wangsd echinotrix ak Odi bezbozhnik todchambers perceptron wasteland93 yizheng stephane-jean mahlow mbaric mtr anon_pl dir289 lanubile fcalefato dpeeler QFRMC xwenlong johncumbers kgronemyer keitokita hkl pervane mpennell kedmond mfisk brusilovsky gregflanders 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ruddyconsult MichaelGaebler nco71 Vezhnick fabianhemmert shangnan Fahland lossius adriancooke baikanamako elisaformist jsanpedro oceanflynn imaginaryunit bobturner grahamc nascardaughter shariffdinah ibschwartz srfairclough joepickrell bouchard islandrru hohkhkh1 alchemyst mlewcio irwink henriksdal cychang padraic trshepherd tarjeiha josemblazquez pitzelberger hukkinen toppi sjc garancher_gougeon_reyotero nmaisonneuve powell digamberjuwekar cmcleod grieth isys1186 aartaki polyparadigm portalqm bangb cdm jeanfou CareyNadell teh zwang shivakmr prerona michaelmampaey mick39 dagmar bellia kevin7 friveroll zetetic karipuf leechuck hp2oo1 jenda_z ngrandy andreacapocci ghunter Maderlock shizhao dayadvham monientiedt rebeccamancy calamar c-gobert baniel jborn dmschneid tale chrisatcite mloewer hanxiansheng rlai jasonbobe ggorjan zeppe AlisonBabeu eprzekwa J_Raff fornstar Akimasa technical oilpalm spacely j0nes TCgroup ingedwar Oktoplus stonest cwr jladell rbmoura Leize adjih carpi omidf2 msampson olaf markusd paulschlesinger qwermish librain pkrrules thehajime PeterRabbit paulvb peefeeyatko kinestetika lynleypage truongducthang metaspencer dodger042 jpassoth krokicki tibbitts brianlimyl vogmae doylem wongmld hayko gjhuang ashko buggle bemike cvarnam jakobl umurthy21 Katje tgyork ivanois toivotuo jnz snyder84 idonaldson dandaman awc mtugrul buchgeher fairy mebiel lectorespa bennettn waszak forestier claudiotubertini acastaner hkreysa AnneB GimpyBee sgclendenon paj prdrieze cortex rschulz aklassen kenneth1ny nschaeff japarejo andreacastelletti schocol hillarpoldmaa kcrawlik ipora yavanna Grobi s-fujii kdesmond bjbecerra ziggy talkingpoints linxiang mllee monkare pantxorama petergun6666 iantunbridge farzanehs mpisarenco blackm0k bluecricket mrosenki BrianTomasik adamsi schulz iup massimocencini natasjadenouden nickpitman genericg dmmarinlo kericson makbot adenkabe ThomasKluge kndiaye duckysherwood scottkb freddan IanBrown squirmelia gkvas hrwiltse mfloris mamadoudiao LTrottier giolakat nikko sarahmccrum malkav30 psique Repton gvandyk1 pdessus joni2am taenneken vrich Neeperando ranger midshipman Corbasson murb carterb applebyb kaniko skumagai Stepstep abdulpur mirweis nlauzier Axis gi0rgi0ne danzinde christiankissig tbolt427 Scis0000002 balicea Langster jeanbean EsepBib pulsus-morbi ezaydens melody scarcelan ablam maburkitt fghjorth austin MariaChiaraP wartaalman dconnelly kungcc sbaete tanneama000 ricckli boellernadja nafets laurabailey iarmac alexispaz pathari steveut wolfe275 dcastro yori amydash rpbharti rwilliamson motchy songpku andrealira Zephyrus wilkinm pchia davidchavalarias 3D24 INC Groep Z2 UCD TACs Master VTI - veille intelligence economique Oxford Hooker Group Web2Learning Web2-0_Education Semantic Web and online learning Gender and ICT e-JC BioVT Security in SOA PIM Semantic Desktop enviro ed Med Anthro @ UF Interactive Archivist Mycology GEB Biocatalysis and Biotransformation UF Geography Department CGREL CMU-HCII NU-PRL UoY-CS-AIG Blog_and_Wiki_Research CompetitionLawAndPolicy Tectonics_and_geomorphology NeuronDynamics Context-driven-testers ReadingLab political_science_students kdl distance remote TUCS-ES_Lab Quantum_physics_Education WAND sims_phd_cohort_2005 ASR digital_youth Librarians biodiversity_conservation Global_biodiversity_model InformationRetrieval Wikipedia AssistiveTechnology Bioinformatics mathgamespatterns folksonomy Neuroscience VisionLab Personal-Information-Management CMS Stoc_Proc_Ecology_WG LanguageAndBrain BrainTheory dtl hdm id vds-arg ALF DPR EvolutionaryComputation STS infovis 2ndFloor fammed-publichealth AI eni Biofluid FAB-lab DSS NeuralNetworks mobilecomputing tmig_psycho RETA SITCRC CDG cliamte_change folk_epistemology instaar_graduate_students Projet_ENSIMAG climate_change BUiGEM social_navigation Macroelectronics ARC04 The_Truants QFRMC_ConsumerCredit Plant-Tissue-Simulation METRIK Metaheuristics Boydian_Society eLearning BioinfoCIPF Nutritional_Polymorphisms CaltechCMP SEGAL Optimization location SNE kickOffTUG-Robocup NanoMechanicsofMetals_MPIMF Georouting Child_Support Software-Architecture moernerlab ilps livingthing HUCO-627-W07 elearning_research PLE-TEL-project Femtochemistry_LMU ediadem ENSSIBVeille memoir ILK ColDyn ImatiGESemantic AGH-IISG PRC_SEA TCD-NDS102-Project Adaptive-Web Microbial-Ecology Flexible_ICT-supported_learning Social_Software_ws_07-08 DialogueResearchGroup AM-VideoGames-Gender dIEMoSIRIS microbiology_nijmegen Europe_GPE ZnO_project ADMiRes Health_Sciences_Librarians Desgin-by-Contract MITCCI Kopelman_Group DarkMarkGroup VivesMinions PostureMobility compneur Philosophy of physics PsychStatsBanter Social Informatics @ IU Patent_Reform Convention on Knowledge Commons feminist_technoscience Roswell Cancer Crosstalk Parsons MFA DT 2008 Thesis Research
	Multiple Molecular Dynamics Simulations of the Anticodon Loop of tRNA in Aqueous Solution with Counterions [My Copy] Journal of the American Chemical Society, Vol. 117 (1995), pp. 6720-6726. by Pascal Auffinger, Shirley Louise-May, Eric Westhof posted to counterions md rna sampling by lillekatt on 2006-03-22 10:11:22 as
	Convergence of sampling in protein simulations. [My Copy] Phys Rev E Stat Nonlin Soft Matter Phys, Vol. 65, No. 3 Pt 1. (March 2002) by B. Hess posted to md protein-folding sampling by lillekatt on 2006-03-22 10:06:06 as along with 2 people baaden ltrabuco
	Locally accessible conformations of proteins: multiple molecular dynamics simulations of crambin. [My Copy] Protein science : a publication of the Protein Society, Vol. 7, No. 3. (March 1998), pp. 649-666. by L. S. Caves, J. D. Evanseck, M. Karplus posted to md protein-folding sampling by lillekatt on 2006-03-22 09:58:29 as along with 4 people sunnytov bmduggan allmensch toerst
	Particle mesh Ewald: An N+log(N) method for Ewald sums in large systems [My Copy] Journal of Chemical Physics, Vol. 98, No. 12. (15 June 1993), pp. 10089-10092. by Tom Darden, Darrin York, Lee Pedersen posted to md pme by lillekatt on 2006-03-21 13:16:27 as
	Atomic Radii for Continuum Elektrostatics Calculations on Nucleic Acids [My Copy] Journal of Physical Chemistry, Vol. 106 (2002), pp. 11026-11035. by Nilesh K. Banavali, Benoit Roux posted to atomic_radii continuum-solvent md by lillekatt on 2006-03-21 12:51:20 as
	The Flying Ice Cube: Velocity Rescaling in Molecular Dynamics Leads to Violation of Energy Equipartition [My Copy] Journal of Computational Chemistry, Vol. 19, No. 7. (1998), pp. 726-740. by Stephen C. Harvey, Robert K. Tan, Thomas E. Cheatham posted to artifacts flying_icecube md by lillekatt on 2006-03-21 11:31:36 as
	Molecular dynamics simulations [My Copy] Current Opinion in Structural Biology, Vol. 12 (2002), pp. 190-196. by Tomas Hansson, Chris Oostenbrink, Wilfred F. van Gunsteren posted to md by lillekatt on 2006-03-20 15:15:36 as
	Molecular dynamics investigations of hammerhead ribozyme RNA. [My Copy] Eur Biophys J, Vol. 27, No. 2. (1998), pp. 153-165. by T. Hermann, P. Auffinger, E. Westhof posted to hammerhead ions md rna by lillekatt on 2005-12-12 16:53:41 as
	Force field validation for nucleic acid simulations: Comparing energies and dynamics of a DNA dodecamer. [My Copy] J Comput Chem, Vol. 26, No. 15. (30 November 2005), pp. 1617-1627. by S. Jha, P. V. Coveney, C. A. Laughton posted to force_field md by lillekatt on 2005-10-24 13:41:39 as
	Analysis methods for comparison of multiple molecular dynamics trajectories: applications to protein unfolding pathways and denatured ensembles. [My Copy] J Mol Biol, Vol. 290, No. 1. (2 July 1999), pp. 283-304. by S. L. Kazmirski, A. Li, V. Daggett posted to md protein-ligand by lillekatt on 2005-10-24 13:20:10 as along with 2 people and 2 groups barry choonpeng structural_bioinformatics Bioinformatics
	Molecular Dynamics Simulations of Nucleic Acids with a Generalized Born Solvation Model [My Copy] Journal of the American Chemical Society, Vol. 122 (2000), pp. 2489-2498. by Vickie Tsui, David A. Case posted to md mm-pbsa thermodynamics by lillekatt on 2005-09-21 14:46:12 as
	Influence of Artificial Periodicity and Ionic Strength in Molecular Dynamics Simulations of Charged Biomolecules Employing Lattice-Sum Methods [My Copy] Journal of Physical Chemistry, Vol. 108 (2004), pp. 774-788. by M. A. Kastenholz, P. H. Hünenberger posted to counterions md by lillekatt on 2005-08-15 10:12:29 as
	Systematic comparison of force fields for microscopic simulations of NaCl in aqueous solutions: diffusion, free energy of hydration, and structural properties. [My Copy] J Comput Chem, Vol. 25, No. 5. (15 April 2004), pp. 678-689. by M. Patra, M. Karttunen posted to counterions md thermodynamics by lillekatt on 2005-08-15 10:09:57 as along with 1 person softsimu
	Simulation and modeling of nucleic acid structure, dynamics and interactions. [My Copy] Curr Opin Struct Biol, Vol. 14, No. 3. (June 2004), pp. 360-367. by T. E. Cheatham posted to md by lillekatt on 2005-08-15 10:07:04 as along with 1 person Elena_Zubova
	Molecular Dynamics simulation of Ions and Water around Triplex DNA [My Copy] Journal of Physical Chemistry, Vol. 97 (1993), pp. 12984-12990. by V. Mohan, P. E. Smith, B. M. Pettitt posted to counterions md by lillekatt on 2005-08-15 08:51:40 as
	Molecular Dynamics Simulations on Solvated Biomolecular Systems: The Particle Mesh Ewald Method Leads to Stable Trajectories of DNA, RNA, and Proteins [My Copy] Journal of the American Chemical Society, Vol. 117 (1995), pp. 4193-4194. by T. E. Cheatham, J. L. Miller, T. Fox, T. A. Darden, P. A. Kollman posted to md pme by lillekatt on 2005-08-15 07:47:49 as
	Modeling DNA in aqueous solutions: theoretical and computer simulation studies on the ion atmosphere of DNA. [My Copy] Annu Rev Biophys Biomol Struct, Vol. 25 (1996), pp. 367-394. by B. Jayaram, D. L. Beyeridge posted to counterions md by lillekatt on 2005-08-15 07:41:48 as
	DNA and its counterions: a molecular dynamics study [My Copy] Nucleic Acids Research, Vol. 32, No. 14. (10 August 2004), pp. 4269-4280. by P. Várnai, K. Zakrzewska posted to md by lillekatt on 2005-07-21 14:14:22 as
	Simultaneous determination of protein structure and dynamics [My Copy] Nature, Vol. 433, No. 7022. (13 January 2005), pp. 128-132. by Kresten Lindorff-Larsen, Robert B. Best, Mark A. DePristo, Christopher M. Dobson, Michele Vendruscolo posted to md by lillekatt on 2005-05-27 13:48:35 as along with 16 people and 3 groups bmduggan Diego_Prada xdeupi A_Coletta_Thesis karbak apaydin barry baaden lna dgront allmensch daevans rsantana jlh64 biehl rph Structural Biology Group TorVergata structural_bioinformatics Bioinformatics
	The apical loop of the HIV-1 TAR RNA hairpin is stabilized by a cross-loop base pair. [My Copy] J Biol Chem, Vol. 278, No. 40. (3 October 2003), pp. 38892-38901. by T. Kulinski, M. Olejniczak, H. Huthoff, et al.L. Bielecki, K. Pachulska-Wieczorek, A. T. Das, B. Berkhout, R. W. Adamiak posted to md tar by lillekatt on 2005-05-27 09:53:31 as
	Molecular dynamics simulations and free energy calculations of base flipping in dsRNA. [My Copy] RNA, Vol. 11, No. 5. (May 2005), pp. 609-618. by K. Hart, B. Nyström, M. Ohman, L. Nilsson posted to energy md rnafree by lillekatt on 2005-05-25 14:24:46 as
	Comparative analysis of HIV-1 Tat variants. [My Copy] Proteins, Vol. 58, No. 3. (15 February 2005), pp. 638-643. by S. Pantano, P. Carloni posted to md tat by lillekatt on 2005-05-24 16:00:56 as
	Molecular dynamics simulations of biomolecules: long-range electrostatic effects. [My Copy] Annu Rev Biophys Biomol Struct, Vol. 28 (1999), pp. 155-179. by C. Sagui, T. A. Darden posted to md pme by lillekatt on 2005-05-18 15:26:20 as along with 8 people Scis0000002 babakap onufriev ttjoseph dgront RamuAnandakrishnan AndreaColetta r2s2
	On the stability of different experimental dimeric structures of the SL1 sequence from the genomic RNA of HIV-1 in solution: a molecular dynamics simulation and electrophoresis study. [My Copy] Biopolymers, Vol. 74, No. 3. (15 June 2004), pp. 177-188. by S. Aci, L. Gangneux, J. Paoletti, D. Genest posted to hiv-1 md rna by lillekatt on 2005-05-18 08:31:56 as
	Amino acid modification in the HIV-1 Tat basic domain: insights from molecular dynamics and in vivo functional studies. [My Copy] J Mol Biol, Vol. 318, No. 5. (17 May 2002), pp. 1331-1339. by S. Pantano, M. Tyagi, M. Giacca, P. Carloni posted to md tar-tat tat by lillekatt on 2005-05-18 08:14:02 as
	Symmetric K+ and Mg2+ ion-binding sites in the 5S rRNA loop E inferred from molecular dynamics simulations. [My Copy] J Mol Biol, Vol. 335, No. 2. (9 January 2004), pp. 555-571. by P. Auffinger, L. Bielecki, E. Westhof posted to md by lillekatt on 2005-05-13 09:57:22 as
	Binding interactions between the core central domain of 16S rRNA and the ribosomal protein S15 determined by molecular dynamics simulations [My Copy] Nucleic Acids Research, Vol. 31, No. 2. (2003), pp. 629-638. by W. Li, B. Ma, Ba Shapiro posted to md rna-ligands by lillekatt on 2005-05-13 09:47:10 as
	Investigating the binding specificity of U1A-RNA by computational mutagenesis. [My Copy] J Mol Biol, Vol. 295, No. 1. (7 January 2000), pp. 1-6. by C. M. Reyes, P. A. Kollman posted to md rna by lillekatt on 2005-05-13 09:44:32 as
	Understanding binding affinity: a combined isothermal titration calorimetry/molecular dynamics study of the binding of a series of hydrophobically modified benzamidinium chloride inhibitors to trypsin. [My Copy] J Am Chem Soc, Vol. 125, No. 35. (3 September 2003), pp. 10570-10579. by R. Talhout, A. Villa, A. E. Mark, J. B. Engberts posted to itc md protein-ligand thermodynamics by lillekatt on 2005-05-13 09:38:05 as along with 1 person dmobley
	Simulations of the molecular dynamics of nucleic acids. [My Copy] Curr Opin Struct Biol, Vol. 8, No. 2. (April 1998), pp. 227-236. by P. Auffinger, E. Westhof posted to md rna by lillekatt on 2005-05-13 09:00:29 as
	Molecular dynamics simulations on HIV-1 Tat. [My Copy] Eur Biophys J, Vol. 33, No. 4. (July 2004), pp. 344-351. by S. Pantano, M. Tyagi, M. Giacca, P. Carloni posted to amber md mymd tar-tat by lillekatt on 2005-05-12 10:16:05 as along with 1 person mchang
	Molecular dynamics studies of the HIV-1 TAR and its complex with argininamide [My Copy] Nucleic Acids Research, Vol. 28, No. 24. (2000), pp. 4944-4955. by R. Nifosì, C. Reyes, Pa Kollman posted to md tar-argininamide by lillekatt on 2005-05-12 09:50:49 as
	Molecular dynamics and binding specificity analysis of the bovine immunodeficiency virus BIV Tat-TAR complex. [My Copy] Biophys J, Vol. 80, No. 6. (June 2001), pp. 2833-2842. by C. M. Reyes, R. Nifosì, A. D. Frankel, P. A. Kollman posted to biv md tar-tat by lillekatt on 2005-05-12 09:28:01 as

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replica_exchange	7
force_field	7
mymd	6
tar	6
tar-argininamide	6
pme	5
tar-ligands	5
protein-ligand	5
protein-folding	5
ms	4
nmr	4
tar-acetylpromazine	4
rna-antibiotics	3
affinities	3
dna-protein	3
binding_free_energies	3
hiv-1_hiv-2	3
continuum-solvent	3
protein-protein	2
solvent_accessible_surface	2
charges	2
drug_design	2
hiv-2	2
binding	2
dna	2
entropy	2
interactions	2
computer_based	2
resp	2
nucleic_acids	2
trna	1
atomic_charges	1
1arj	1
electrostatics	1
tak	1
parse_parameters	1
equine	1
virtuell_screening	1
alanine_scanning	1
rnafree	1
poisson-boltzmann	1
tat-cyclin1	1
1lvj	1
biv	1
parallel_tempering	1
tata_tbp	1
energy	1
flying_icecube	1
docking	1
modelling	1
gaff	1
artifacts	1
pdb	1
temperature	1
hammerhead	1
fluorescence	1
noncovalent_interactions	1
monte_carlo	1
rna-dna	1
structure-prediction	1
atomic_radii	1
drugscore	1
intermolecular-interactions	1
arginine-fork	1
epr	1

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