{"_id":"sYtTSu5miX3gYgcDj","bibbaseid":"malloci-serra-bosin-vargiu-extractingconformationalensemblesofsmallmoleculesfrommoleculardynamicssimulationsampicillinasatestcase-2016","authorIDs":[],"author_short":["Malloci, G.","Serra, G.","Bosin, A.","Vargiu, A. V."],"bibdata":{"bibtype":"article","type":"article","author":[{"firstnames":["Giuliano"],"propositions":[],"lastnames":["Malloci"],"suffixes":[]},{"firstnames":["Giovanni"],"propositions":[],"lastnames":["Serra"],"suffixes":[]},{"firstnames":["Andrea"],"propositions":[],"lastnames":["Bosin"],"suffixes":[]},{"firstnames":["Attilio","Vittorio"],"propositions":[],"lastnames":["Vargiu"],"suffixes":[]}],"title":"Extracting Conformational Ensembles of Small Molecules from Molecular Dynamics Simulations: Ampicillin as a Test Case","journal":"Computation","volume":"4","number":"1","pages":"5","year":"2016","url":"https://doi.org/10.3390/computation4010005","doi":"10.3390/computation4010005","timestamp":"Tue, 14 Aug 2018 01:00:00 +0200","biburl":"https://dblp.org/rec/journals/computation/MallociSBV16.bib","bibsource":"dblp computer science bibliography, https://dblp.org","bibtex":"@article{DBLP:journals/computation/MallociSBV16,\n author = {Giuliano Malloci and\n Giovanni Serra and\n Andrea Bosin and\n Attilio Vittorio Vargiu},\n title = {Extracting Conformational Ensembles of Small Molecules from Molecular\n Dynamics Simulations: Ampicillin as a Test Case},\n journal = {Computation},\n volume = {4},\n number = {1},\n pages = {5},\n year = {2016},\n url = {https://doi.org/10.3390/computation4010005},\n doi = {10.3390/computation4010005},\n timestamp = {Tue, 14 Aug 2018 01:00:00 +0200},\n biburl = {https://dblp.org/rec/journals/computation/MallociSBV16.bib},\n bibsource = {dblp computer science bibliography, https://dblp.org}\n}\n\n","author_short":["Malloci, G.","Serra, G.","Bosin, A.","Vargiu, A. V."],"key":"DBLP:journals/computation/MallociSBV16","id":"DBLP:journals/computation/MallociSBV16","bibbaseid":"malloci-serra-bosin-vargiu-extractingconformationalensemblesofsmallmoleculesfrommoleculardynamicssimulationsampicillinasatestcase-2016","role":"author","urls":{"Paper":"https://doi.org/10.3390/computation4010005"},"downloads":0},"bibtype":"article","biburl":"https://dblp.org/pid/48/321.bib","creationDate":"2020-03-17T11:14:55.478Z","downloads":0,"keywords":[],"search_terms":["extracting","conformational","ensembles","small","molecules","molecular","dynamics","simulations","ampicillin","test","case","malloci","serra","bosin","vargiu"],"title":"Extracting Conformational Ensembles of Small Molecules from Molecular Dynamics Simulations: Ampicillin as a Test Case","year":2016,"dataSources":["MphZTHwvgRRQssbfD"]}