{"entities":{"Q1612912":{"pageid":1623652,"ns":120,"title":"Item:Q1612912","lastrevid":68044698,"modified":"2026-04-12T21:03:52Z","type":"item","id":"Q1612912","labels":{"en":{"language":"en","value":"Computational methods for macromolecules: Challenges and applications. Proceedings of the 3rd international workshop on algorithms for macromolecular modeling, New York, NY, USA, October 12--14, 2000"}},"descriptions":{"en":{"language":"en","value":"scientific article; zbMATH DE number 1796612"}},"aliases":{},"claims":{"P31":[{"mainsnak":{"snaktype":"value","property":"P31","hash":"fd5912e4dab4b881a8eb0eb27e7893fef55176ad","datavalue":{"value":{"entity-type":"item","numeric-id":56887,"id":"Q56887"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q1612912$3D9A0609-381F-4F6F-9763-302621FA22B9","rank":"normal"}],"P159":[{"mainsnak":{"snaktype":"value","property":"P159","hash":"06a1a6152d0c54c55c5d00fd4f8fca97d506d429","datavalue":{"value":{"text":"Computational methods for macromolecules: Challenges and applications. Proceedings of the 3rd international workshop on algorithms for macromolecular modeling, New York, NY, USA, October 12--14, 2000","language":"en"},"type":"monolingualtext"},"datatype":"monolingualtext"},"type":"statement","id":"Q1612912$FC613D60-CCAF-4946-87B3-1259F5538477","rank":"normal"}],"P225":[{"mainsnak":{"snaktype":"value","property":"P225","hash":"7dfedf2b9bbcdccd9e2259d7bd8494ad663285d7","datavalue":{"value":"0993.00062","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q1612912$7612D33E-7311-4583-889E-9595C6FEFDCD","rank":"normal"}],"P27":[{"mainsnak":{"snaktype":"value","property":"P27","hash":"2d6bd02e3e718f9d9a0e0c5cebba82906da44839","datavalue":{"value":"10.1007/978-3-642-56080-4","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q1612912$DB55DD09-59B3-48B9-9A20-13C0E52282E1","rank":"normal"}],"P200":[{"mainsnak":{"snaktype":"value","property":"P200","hash":"324d966694e5d0290eb63795936adb4c578e7d48","datavalue":{"value":{"entity-type":"item","numeric-id":163445,"id":"Q163445"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q1612912$5D093B29-8948-47D3-8FBF-6D57CBF652DE","rank":"normal"}],"P28":[{"mainsnak":{"snaktype":"value","property":"P28","hash":"984f89431fd3bd278c430e81f3345c06d05910ab","datavalue":{"value":{"time":"+2002-09-05T00:00:00Z","timezone":0,"before":0,"after":0,"precision":11,"calendarmodel":"http://www.wikidata.org/entity/Q1985727"},"type":"time"},"datatype":"time"},"type":"statement","id":"Q1612912$DB4E6206-14D4-47F8-B8A2-477DE69D924E","rank":"normal"}],"P1448":[{"mainsnak":{"snaktype":"value","property":"P1448","hash":"6fc4c758cbead1be3592b5ab709aa1c0a2a41ede","datavalue":{"value":"The articles of this volume will be reviewed individually. The preceding symposium (2nd, 1997) has been reviewed (see Zbl 0904.00046).  Indexed articles:  \\textit{Gan, Hin Hark; Schlick, Tamar}, Methods for macromolecular modeling \\((M^3)\\): assessment of progress and future perspectives, 1-27 [Zbl 1138.92326]  \\textit{Baker, Nathan A.; Tai, Kaihsu; Henchman, Richard; Sept, David; Elcock, Adrian; Holst, Michael; McCammon, J. Andrew}, Mathematics and molecular neurobiology, 31-60 [Zbl 1138.92321]  \\textit{Auffinger, Pascal; Masquida, Benoit; Westhof, Eric}, Structural and dynamical characterization of nucleic acid water and ion binding sites, 61-70 [Zbl 1138.92320]  \\textit{Barth, Eric; Leimkuhler, Benedict; Reich, Sebastian}, A test set for molecular dynamics algorithm, 73-103 [Zbl 1138.92322]  \\textit{Lee, Sang-Ho; Krimm, Samuel}, Internal coordinate molecular dynamics based on the spectroscopic \\(B\\)-matrix, 104-128 [Zbl 1138.92331]  \\textit{Mann, Geoff; Yun, R. H.; Nyland, Lars; Prins, Jan; Board, John; Hermans, Jan}, The Sigma MD programm and a generic interface applicable to multi-functional programs with complex, hierarchical command structure, 129-145 [Zbl 1138.92332]  \\textit{Izaguirre, Jes\u00fas A.; Ma, Qun; Matthey, Thierry; Willcock, Jeremiah; Slabach, Thomas; Moore, Branden; Viamontes, George}, Overcoming instabilities in Verlet-I/r-RESPA with the mollified impulse method, 146-174 [Zbl 1138.92328]  \\textit{Mezei, Mihaly}, On the potential of Monte Carlo methods for simulating macromolecular assemblies, 175-196 [Zbl 1138.92333]  \\textit{Hassan, Sergio A.; Mehler, Ernest L.; Weinstein, Harel}, Structure calculation of protein segments connecting domains with definded secondary structure: a simulated annealing Monte Carlo combined with biased scaled collective variables technique, 197-231 [Zbl 1138.92327]  \\textit{Fischer, Alexander; Sch\u00fctte, Christof; Deuffhard, Peter; Cordes, Frank}, Hierarchical uncoupling-coupling of metastable conformations, 235-259 [Zbl 1138.92324]  \\textit{Galliat, T.; Deuffhard, P.; Roitzsch, R.; Cordes, F.}, Automatic identification of metastable conformations via self-organized neural networks, 260-284 [Zbl 1138.92325]  \\textit{Jarzynski, C.}, Equilibrium and nonequilibrium foundations of free energy computational methods, 287-303 [Zbl 1138.92329]  \\textit{Sugita, Yuji; Okamoto, Yuko}, Free-energy calculations in protein folding by generalized-ensemble algorithms, 304-332 [Zbl 1138.92337]  \\textit{Zhang, Yingkai; Liu, Haiyan; Yang, Weitao}, Ab initio QM/MM and free energy calculations of enzyme reactions, 333-355 [Zbl 1138.92341]  \\textit{Krasny, Robert; Duan, Zhong-Hui}, Treecode algorithms for computing nonbonded particle interactions, 359-380 [Zbl 1138.92330]  \\textit{Tuckerman, Mark E.; Minary, Peter; Pikahara, Katianna; Martyna, Glenn J.}, A new reciprocal space based method for treating long range interactions in ab initio and force-field based calculations for surfaces, wires and clusters, 381-410 [Zbl 1312.81138]  \\textit{Sandak, B.}, Efficient computational algorithms for fast electrostatics and molecular docking, 411-441 [Zbl 1153.92306]  \\textit{Felts, Anthony K.; Wallqvist, Anders; Gallicchio, Emilio; Bassolino, Donna; Krystek, Stanley R.; Levy, Ronald M.}, Fold recognition using the OPLS all-atom potential and the surface generalized Born solvent model, 445-476 [Zbl 1311.92146]  \\textit{Cammer, Stephen A.; Carter, Charles W. jun.; Tropsha, Alexander}, Identification of sequence-specific tertiary packing motifs in protein structures using Delaunay tessellation, 477-494 [Zbl 1311.92142]","type":"string"},"datatype":"string"},"type":"statement","id":"Q1612912$A710FF9C-BFD2-4A90-9610-1EEEDFA419CF","rank":"normal"}],"P226":[{"mainsnak":{"snaktype":"value","property":"P226","hash":"6f2c17db95e93f9a5a19ff6c68b3a1df8b0c021e","datavalue":{"value":"00B25","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q1612912$D498E540-E82B-477B-AB23-67C53681BB2C","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P226","hash":"03a1e482223084bfb092fa09c8bcb1bcd069ef25","datavalue":{"value":"92-06","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q1612912$20971A9D-16A0-416C-B5BE-CCB559E79E32","rank":"normal"}],"P1451":[{"mainsnak":{"snaktype":"value","property":"P1451","hash":"4e5c6724c5a667fe39942ba9e1b978c964e7a7e3","datavalue":{"value":"1796612","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q1612912$F061CC32-53C5-4EE1-AA37-6487DE53FC86","rank":"normal"}],"P1450":[{"mainsnak":{"snaktype":"value","property":"P1450","hash":"0667c5d16f909d728d047cff529079d7ff941c49","datavalue":{"value":"New York, NY (USA)","type":"string"},"datatype":"string"},"type":"statement","id":"Q1612912$BA335E99-4B8B-4921-97D0-D5B98802469F","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"5c4c4bb5a86a0fdf66f908b603f2f6975f5ef6fc","datavalue":{"value":"Proceedings","type":"string"},"datatype":"string"},"type":"statement","id":"Q1612912$A8476E05-9651-4938-B116-46579E69D652","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"f7c2172f0a2ed6197400daa3f44dae0d79725b1a","datavalue":{"value":"Workshop","type":"string"},"datatype":"string"},"type":"statement","id":"Q1612912$C43085B4-2609-49BF-9F41-D6472A8ADA48","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"fdc3270125883c22161215fd706fc94afed517b2","datavalue":{"value":"Computational methods","type":"string"},"datatype":"string"},"type":"statement","id":"Q1612912$FDB0DAF6-C10B-4840-A759-C344E350ABBA","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"bd202dff6bda3f16b00d0cee74aa468d4116dae8","datavalue":{"value":"Macromolecules","type":"string"},"datatype":"string"},"type":"statement","id":"Q1612912$5EDD936C-832E-4800-BDD0-C43CC369F86D","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"8baf804bc4c1172cd32c9cc96b06a8c070f11c0c","datavalue":{"value":"Algorithms","type":"string"},"datatype":"string"},"type":"statement","id":"Q1612912$7659BFAF-8809-4492-ACED-1AF7A6E2E410","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"e0c31ed31921ea0798a9a8f7daa8d5982d615da6","datavalue":{"value":"Macromolecular modeling","type":"string"},"datatype":"string"},"type":"statement","id":"Q1612912$B43C79F8-76BF-4CC5-B4AE-F00502D950E0","rank":"normal"}],"P1460":[{"mainsnak":{"snaktype":"value","property":"P1460","hash":"57f7fea50d2ce1b39b695c4a1313582eed405e38","datavalue":{"value":{"entity-type":"item","numeric-id":5976449,"id":"Q5976449"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q1612912$74896852-7811-43C0-A916-63B322607A9F","rank":"normal"}],"P205":[{"mainsnak":{"snaktype":"value","property":"P205","hash":"233c2f3d1be0030171bc127f175c3a1a3549345e","datavalue":{"value":"https://doi.org/10.1007/978-3-642-56080-4","type":"string"},"datatype":"url"},"type":"statement","id":"Q1612912$B2A9956F-6B42-4406-BD8E-121AA263DA7C","rank":"normal"}],"P388":[{"mainsnak":{"snaktype":"value","property":"P388","hash":"afcc9fca10323ba804fde765d186039e66785bdd","datavalue":{"value":"W2496508781","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q1612912$E22AC764-E1BC-4CD9-B17F-232F069FB791","rank":"normal"}],"P1643":[{"mainsnak":{"snaktype":"value","property":"P1643","hash":"7ad06806231bee751425c32cbc75ad4c5e1ed2e0","datavalue":{"value":{"entity-type":"item","numeric-id":1274146,"id":"Q1274146"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"0c50d3f339ea13fb85c046e453306631a0d68847","datavalue":{"value":{"amount":"+0.8796773","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"ac3c626774dcd0d16f89557f66586245841a01db","datavalue":{"value":{"entity-type":"item","numeric-id":6767936,"id":"Q6767936"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q1612912$8E75C6E1-0DCD-4601-8D0D-4A848310003E","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"87b0ba9ea06d06a51138d2d29344a059654fc8d8","datavalue":{"value":{"entity-type":"item","numeric-id":5457144,"id":"Q5457144"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"e0386d7455e491fb73e008bf7ce25c560940556d","datavalue":{"value":{"amount":"+0.8571552","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"ac3c626774dcd0d16f89557f66586245841a01db","datavalue":{"value":{"entity-type":"item","numeric-id":6767936,"id":"Q6767936"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q1612912$B2D7DBFE-3011-43F4-9DFD-94921A972B16","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"770a1f6c40c55b8c812b7390f5ff92503d19fbfe","datavalue":{"value":{"entity-type":"item","numeric-id":819457,"id":"Q819457"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"5cb65c33fe2cba6f8bfc228054e47c78b6649250","datavalue":{"value":{"amount":"+0.82958615","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"ac3c626774dcd0d16f89557f66586245841a01db","datavalue":{"value":{"entity-type":"item","numeric-id":6767936,"id":"Q6767936"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q1612912$C3867DD6-A37B-47D5-A73A-50F6243E4DEE","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"a7e6376eb48688f113f635aae12c174721fd16a3","datavalue":{"value":{"entity-type":"item","numeric-id":1305945,"id":"Q1305945"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"91a5c22f4324f5d5f2292ddea6d4b0b367379bdf","datavalue":{"value":{"amount":"+0.8013617","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"ac3c626774dcd0d16f89557f66586245841a01db","datavalue":{"value":{"entity-type":"item","numeric-id":6767936,"id":"Q6767936"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q1612912$2965C615-E452-47D1-AF4F-75F8612965F3","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"f1aa5e8add64952a419b74679c8d5e968d7585a1","datavalue":{"value":{"entity-type":"item","numeric-id":4681239,"id":"Q4681239"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"b605686b68c20af4422077dc7c0189811be55ad9","datavalue":{"value":{"amount":"+0.8008525","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"ac3c626774dcd0d16f89557f66586245841a01db","datavalue":{"value":{"entity-type":"item","numeric-id":6767936,"id":"Q6767936"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q1612912$8FE61EDF-78B4-4F5E-A293-9F344C091D19","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"2b272275a68747e9233ebf9c60f6f1dbde66d8d0","datavalue":{"value":{"entity-type":"item","numeric-id":2921937,"id":"Q2921937"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"8c60ef82ba5f10856c5cf08e223156fc11be4821","datavalue":{"value":{"amount":"+0.79633","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"ac3c626774dcd0d16f89557f66586245841a01db","datavalue":{"value":{"entity-type":"item","numeric-id":6767936,"id":"Q6767936"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q1612912$0CBD0588-C47B-49D6-955C-1F4B996CADED","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"e33c7933cbf674db97a7b6f8150e9b7f5d128ea6","datavalue":{"value":{"entity-type":"item","numeric-id":4532697,"id":"Q4532697"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"498d16e517c3cc87127ef80a19a27979b9b711a9","datavalue":{"value":{"amount":"+0.7912992","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"ac3c626774dcd0d16f89557f66586245841a01db","datavalue":{"value":{"entity-type":"item","numeric-id":6767936,"id":"Q6767936"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q1612912$843B8446-4C8E-4216-937D-1544C1486635","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"bf0eabcaae98012225d4400a9fb30a4d0a1fdb95","datavalue":{"value":{"entity-type":"item","numeric-id":5484146,"id":"Q5484146"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"4330e20568cecf5074109871dac5588d9cc1a385","datavalue":{"value":{"amount":"+0.7891077","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"ac3c626774dcd0d16f89557f66586245841a01db","datavalue":{"value":{"entity-type":"item","numeric-id":6767936,"id":"Q6767936"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q1612912$0BE4F1E8-AD82-4AE5-B9E8-7D461020D824","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"5e472db612d1c8446e929f56f229cec24eb64bd4","datavalue":{"value":{"entity-type":"item","numeric-id":855142,"id":"Q855142"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"796eeb3101d2b370330bd3a00a1284c4ef6a2a10","datavalue":{"value":{"amount":"+0.7845319","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"ac3c626774dcd0d16f89557f66586245841a01db","datavalue":{"value":{"entity-type":"item","numeric-id":6767936,"id":"Q6767936"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q1612912$3D4D01BB-15D5-48DD-8FA4-69C392D7E466","rank":"normal"}]},"sitelinks":{"mardi":{"site":"mardi","title":"Computational methods for macromolecules: Challenges and applications. Proceedings of the 3rd international workshop on algorithms for macromolecular modeling, New York, NY, USA, October 12--14, 2000","badges":[],"url":"https://portal.mardi4nfdi.de/wiki/Computational_methods_for_macromolecules:_Challenges_and_applications._Proceedings_of_the_3rd_international_workshop_on_algorithms_for_macromolecular_modeling,_New_York,_NY,_USA,_October_12--14,_2000"}}}}}