uibcdf/study_group_pharmacophores issues and pull requests

#58 - Feng2006PharmID_cv

Issue - State: open - Opened by Daniel-Ibarrola over 3 years ago
Labels: paper, algorithms, gibbs-sampling

#58 - Feng2006PharmID_cv

Issue - State: open - Opened by Daniel-Ibarrola over 3 years ago
Labels: paper, algorithms, gibbs-sampling

#57 - Holliday1998Using_s6

Issue - State: open - Opened by Daniel-Ibarrola over 3 years ago
Labels: paper, ligand-based, algorithms, genetic algorithm

#56 - Figueras1996Ring_cp

Issue - State: open - Opened by Daniel-Ibarrola over 3 years ago
Labels: algorithms

#56 - Figueras1996Ring_cp

Issue - State: open - Opened by Daniel-Ibarrola over 3 years ago
Labels: algorithms

#55 - Nizami2016Molecular_ch

Issue - State: open - Opened by Daniel-Ibarrola over 3 years ago
Labels: paper, molecular dynamics, dynamic pharmacophore

#55 - Nizami2016Molecular_ch

Issue - State: open - Opened by Daniel-Ibarrola over 3 years ago
Labels: paper, molecular dynamics, dynamic pharmacophore

#54 - Du2020Importance_j0

Issue - State: open - Opened by Daniel-Ibarrola over 3 years ago
Labels: paper, molecular dynamics, dynamic pharmacophore

#54 - Du2020Importance_j0

Issue - State: open - Opened by Daniel-Ibarrola over 3 years ago
Labels: paper, molecular dynamics, dynamic pharmacophore

#53 - Durairaj2019Functional_19

Issue - State: open - Opened by Daniel-Ibarrola over 3 years ago
Labels: paper, docking, molecular dynamics, dynamic pharmacophore

#53 - Durairaj2019Functional_19

Issue - State: open - Opened by Daniel-Ibarrola over 3 years ago
Labels: paper, docking, molecular dynamics, dynamic pharmacophore

#52 - Evangelista2019Ensemble_a1

Issue - State: open - Opened by Daniel-Ibarrola over 3 years ago
Labels: paper, docking, molecular dynamics

#52 - Evangelista2019Ensemble_a1

Issue - State: open - Opened by Daniel-Ibarrola over 3 years ago
Labels: paper, docking, molecular dynamics

#51 - Desaphy2012Comparison_cx

Issue - State: open - Opened by Daniel-Ibarrola over 3 years ago
Labels: paper, structure-based

#51 - Desaphy2012Comparison_cx

Issue - State: open - Opened by Daniel-Ibarrola over 3 years ago
Labels: paper, structure-based

#50 - Wieder2016Comparing_s1

Issue - State: open - Opened by Daniel-Ibarrola over 3 years ago
Labels: paper, molecular dynamics, dynamic pharmacophore

#50 - Wieder2016Comparing_s1

Issue - State: open - Opened by Daniel-Ibarrola over 3 years ago
Labels: paper, molecular dynamics, dynamic pharmacophore

#49 - Carlson1999Method_jz

Issue - State: open - Opened by Daniel-Ibarrola over 3 years ago
Labels: paper, molecular dynamics, dynamic pharmacophore

#49 - Carlson1999Method_jz

Issue - State: open - Opened by Daniel-Ibarrola over 3 years ago
Labels: paper, molecular dynamics, dynamic pharmacophore

#48 - Wieder2017Common_a4

Issue - State: open - Opened by Daniel-Ibarrola over 3 years ago
Labels: paper, structure-based, molecular dynamics

#48 - Wieder2017Common_a4

Issue - State: open - Opened by Daniel-Ibarrola over 3 years ago
Labels: paper, structure-based, molecular dynamics

#47 - Sastry2010Large_cn

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, virtual screening, fingerprints

#47 - Sastry2010Large_cn

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, virtual screening, fingerprints

#46 - Duan2010Analysis_j8

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, virtual screening, fingerprints

#46 - Duan2010Analysis_j8

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, virtual screening, fingerprints

#45 - Rogers2010Extended_ct

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, fingerprints, algorithms

#44 - Lupia2019Computer_p4

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, molecular dynamics, dynamic pharmacophore, metadynamics

#44 - Lupia2019Computer_p4

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, molecular dynamics, dynamic pharmacophore, metadynamics

#42 - Maruca2019Computer_p3

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago - 1 comment
Labels: paper, docking, virtual screening, pharmacophore

#42 - Maruca2019Computer_p3

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago - 1 comment
Labels: paper, docking, virtual screening, pharmacophore

#41 - Wieder2016Pharmacophore_19

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, structure-based, molecular dynamics

#41 - Wieder2016Pharmacophore_19

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, structure-based, molecular dynamics

#40 - Schaller2021Exploiting_93

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, software, python

#40 - Schaller2021Exploiting_93

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, software, python

#39 - Polishchuk2019Virtual_i4

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, molecular dynamics, software, python

#39 - Polishchuk2019Virtual_i4

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, molecular dynamics, software, python

#38 - Craig2010Ensemble_cc

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, docking

#38 - Craig2010Ensemble_cc

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, docking

#37 - Kutlushina2018Ligand_m4

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, ligand-based, software, python

#37 - Kutlushina2018Ligand_m4

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, ligand-based, software, python

#36 - Vlachakis2015DrugOn_p5

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, software

#36 - Vlachakis2015DrugOn_p5

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, software

#35 - Hu2014PharmDock_14

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, docking, software, algorithms

#35 - Hu2014PharmDock_14

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, docking, software, algorithms

#34 - Sunseri2016Pharmit_n7

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, virtual screening, software

#34 - Sunseri2016Pharmit_n7

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, virtual screening, software

#33 - Koes2012ZINCPharmer_g8

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, virtual screening, software

#33 - Koes2012ZINCPharmer_g8

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, virtual screening, software

#32 - Koes2011Pharmer_cm

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, virtual screening, software

#32 - Koes2011Pharmer_cm

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, virtual screening, software

#31 - Wolber2006_Pharmacophores_36

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, software, features

#31 - Wolber2006_Pharmacophores_36

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, software, features

#30 - VanDrie2010History_j2

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, review, software, history

#30 - VanDrie2010History_j2

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, review, software, history

#29 - Dragos2010Pharmacophores_91

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, review, ligand-based, structure-based, fingerprints

#29 - Dragos2010Pharmacophores_91

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, review, ligand-based, structure-based, fingerprints

#28 - Wolber2005LigandScout_ce

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, software, features

#28 - Wolber2005LigandScout_ce

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, software, features

#27 - Gaurav2014Structure_j5

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: structure-based, pharmacophore, software

#27 - Gaurav2014Structure_j5

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: structure-based, pharmacophore, software

#26 - Dror2009Novel_cd

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, pharmacophore, software, features

#26 - Dror2009Novel_cd

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, pharmacophore, software, features

#25 - Elokely2013Docking_cd

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, docking, protein flexibility

#25 - Elokely2013Docking_cd

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, docking, protein flexibility

#24 - ThesisTunca2014

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: docking, binding free energy, virtual screening, pharmacophore, thesis

#24 - ThesisTunca2014

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: docking, binding free energy, virtual screening, pharmacophore, thesis

#23 - Erickson2014Lessons_jy

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, docking, algorithms, protein flexibility

#23 - Erickson2014Lessons_jy

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, docking, algorithms, protein flexibility

#22 - Shoitchet2002Lead_s3

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, review, docking, virtual screening

#22 - Shoitchet2002Lead_s3

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, review, docking, virtual screening

#21 - Walters1998Virtual_sx

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, review, docking, virtual screening, pharmacophore

#21 - Walters1998Virtual_sx

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, review, docking, virtual screening, pharmacophore

#20 - Thesis:Michelarakis2019

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: molecular dynamics, dynamic pharmacophore, thesis

#20 - Thesis:Michelarakis2019

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: molecular dynamics, dynamic pharmacophore, thesis

#18 - Perricone2018The_99

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, molecular dynamics, software, dynamic pharmacophore

#18 - Perricone2018The_99

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, molecular dynamics, software, dynamic pharmacophore

#16 - Thesis:Sydow2015

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: molecular dynamics, software, dynamic pharmacophore, thesis

#16 - Thesis:Sydow2015

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: molecular dynamics, software, dynamic pharmacophore, thesis

#13 - Amaro2018Ensemble_j8

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, molecular dynamics, conformational states

#11 - Amaro2010Emerging_19

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, molecular dynamics, dynamic pharmacophore

#10 - Leach2010Three_ju

Issue - State: open - Opened by Daniel-Ibarrola almost 4 years ago
Labels: paper, databases, algorithms, features, field-based

#9 - Guner2014Setting_c3

Issue - State: open - Opened by dprada almost 4 years ago
Labels: paper, review, docking, ligand-based, binding free energy, virtual screening, history

#8 - Carlson2002Protein_s1

Issue - State: open - Opened by dprada almost 4 years ago
Labels: paper, protein flexibility, conformational states, multiple protein structures

#7 - Kim2012Pharmacophore_12

Issue - State: open - Opened by dprada almost 4 years ago
Labels: paper, virtual screening, inhibitors, pharmacophore applications

#6 - Khedkar2007Pharmacophore_11

Issue - State: open - Opened by dprada almost 4 years ago
Labels: paper, pharmacophore, fingerprints, pharmacophore modeling, databases, algorithms

#5 - Schaller2020Next_w8

Issue - State: open - Opened by dprada almost 4 years ago
Labels: paper, review, pharmacophore, machine learning, molecular dynamics, case studies, software

#4 - Yang2010Pharmacophore_j3

Issue - State: open - Opened by dprada almost 4 years ago - 4 comments
Labels: paper, review, ligand-based, virtual screening, structure-based, pharmacophore, de novo design

#3 - Cournia2020Rigorous_a6

Issue - State: open - Opened by dprada almost 4 years ago - 1 comment
Labels: paper, review, docking, ligand-based, binding free energy, virtual screening

#2 - Description of what the *.md files are

Issue - State: open - Opened by dprada almost 4 years ago
Labels: enhancement

GitHub / uibcdf/study_group_pharmacophores issues and pull requests