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10.1093/bioinformatics/btx037 http://scihub22266oqcxt.onion/10.1093/bioinformatics/btx037 C5447236!5447236!28130228     free     free     free Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Bioinformatics 2017 ; 33 (11): 1747-9 Nephropedia Template TP {{tp|p=28130228|t=2017. Ligandbook: an online repository for small and drug-like molecule force field parameters |pdf=|usr=}}{{28130228}} gab.com Text Ligandbook: an online repository for small and drug-like molecule force field parameters JO: Bioinformatics http://www.kidney.de/pget.php?&tw=1&pmid=28130228 #FOAvip Summary: Ligandbook is a public database and archive for force field parameters of small and drug-like molecules. It is a repository for parameter sets that are part of published work but are not easily available to the community otherwise. Parameter sets can be downloaded and immediately used in molecular dynamics simulations. The sets of parameters are versioned with full histories and carry unique identifiers to facilitate reproducible research. Text-based search on rich metadata and chemical substructure search allow precise identification of desired compounds or functional groups. Ligandbook enables the rapid set up of reproducible molecular dynamics simulations of ligands and protein-ligand complexes. Availability and Implementation: Ligandbook is available online at https://ligandbook.org and supports all modern browsers. Parameters can be searched and downloaded without registration, including access through a programmatic RESTful API. Deposition of files requires free user registration. Ligandbook is implemented in the PHP Symfony2 framework with TCL scripts using the CACTVS toolkit. Supplementary information: Supplementary data are available at Bioinformatics online. Twit Text FOAVip Ligandbook: an online repository for small and drug-like molecule force field parameters ????Bioinformatics http://www.kidney.de/pget.php?&tw=1&pmid=28130228 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=28130228 #FOAvip English Wikipedia <ref>{{Cite pmid|28130228}}</ref> Ligandbook: an online repository for small and drug-like molecule force field parameters #MMPMID28130228 Doma?ski J; Beckstein O; Iorga BI Bioinformatics 2017[Jun]; 33 (11): 1747-9 PMID28130228show ga Summary: Ligandbook is a public database and archive for force field parameters of small and drug-like molecules. It is a repository for parameter sets that are part of published work but are not easily available to the community otherwise. Parameter sets can be downloaded and immediately used in molecular dynamics simulations. The sets of parameters are versioned with full histories and carry unique identifiers to facilitate reproducible research. Text-based search on rich metadata and chemical substructure search allow precise identification of desired compounds or functional groups. Ligandbook enables the rapid set up of reproducible molecular dynamics simulations of ligands and protein-ligand complexes. Availability and Implementation: Ligandbook is available online at https://ligandbook.org and supports all modern browsers. Parameters can be searched and downloaded without registration, including access through a programmatic RESTful API. Deposition of files requires free user registration. Ligandbook is implemented in the PHP Symfony2 framework with TCL scripts using the CACTVS toolkit. Supplementary information: Supplementary data are available at Bioinformatics online. äLigandbook: an online repository for small and drug-like molecule forc(epmc).pdf DeepDyve Pubget Overpricing