Mariama Jaiteh, Ismael Rodríguez-Espigares, Jana Selent, Jens Carlsson. PLoS Comput Biol 2020
Times Cited: 20
Times Cited: 20
Times Cited
Times Co-cited
Similarity
Trends in GPCR drug discovery: new agents, targets and indications.
Alexander S Hauser, Misty M Attwood, Mathias Rask-Andersen, Helgi B Schiöth, David E Gloriam. Nat Rev Drug Discov 2017
Alexander S Hauser, Misty M Attwood, Mathias Rask-Andersen, Helgi B Schiöth, David E Gloriam. Nat Rev Drug Discov 2017
30
Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: meeting new challenges.
Irina Kufareva, Vsevolod Katritch, Raymond C Stevens, Ruben Abagyan. Structure 2014
Irina Kufareva, Vsevolod Katritch, Raymond C Stevens, Ruben Abagyan. Structure 2014
25
Comparative Protein Structure Modeling Using MODELLER.
Benjamin Webb, Andrej Sali. Curr Protoc Bioinformatics 2016
Benjamin Webb, Andrej Sali. Curr Protoc Bioinformatics 2016
25
Impact of GPCR Structures on Drug Discovery.
Miles Congreve, Chris de Graaf, Nigel A Swain, Christopher G Tate. Cell 2020
Miles Congreve, Chris de Graaf, Nigel A Swain, Christopher G Tate. Cell 2020
25
Ligand discovery from a dopamine D3 receptor homology model and crystal structure.
Jens Carlsson, Ryan G Coleman, Vincent Setola, John J Irwin, Hao Fan, Avner Schlessinger, Andrej Sali, Bryan L Roth, Brian K Shoichet. Nat Chem Biol 2011
Jens Carlsson, Ryan G Coleman, Vincent Setola, John J Irwin, Hao Fan, Avner Schlessinger, Andrej Sali, Bryan L Roth, Brian K Shoichet. Nat Chem Biol 2011
25
AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading.
Oleg Trott, Arthur J Olson. J Comput Chem 2010
Oleg Trott, Arthur J Olson. J Comput Chem 2010
25
Assessing GPCR homology models constructed from templates of various transmembrane sequence identities: Binding mode prediction and docking enrichment.
Jason S E Loo, Abigail L Emtage, Kar Weng Ng, Alene S J Yong, Stephen W Doughty. J Mol Graph Model 2018
Jason S E Loo, Abigail L Emtage, Kar Weng Ng, Alene S J Yong, Stephen W Doughty. J Mol Graph Model 2018
33
Community-wide assessment of GPCR structure modelling and ligand docking: GPCR Dock 2008.
Mayako Michino, Enrique Abola, Charles L Brooks, J Scott Dixon, John Moult, Raymond C Stevens. Nat Rev Drug Discov 2009
Mayako Michino, Enrique Abola, Charles L Brooks, J Scott Dixon, John Moult, Raymond C Stevens. Nat Rev Drug Discov 2009
20
GPCRdb in 2018: adding GPCR structure models and ligands.
Gáspár Pándy-Szekeres, Christian Munk, Tsonko M Tsonkov, Stefan Mordalski, Kasper Harpsøe, Alexander S Hauser, Andrzej J Bojarski, David E Gloriam. Nucleic Acids Res 2018
Gáspár Pándy-Szekeres, Christian Munk, Tsonko M Tsonkov, Stefan Mordalski, Kasper Harpsøe, Alexander S Hauser, Andrzej J Bojarski, David E Gloriam. Nucleic Acids Res 2018
20
Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment.
Irina Kufareva, Manuel Rueda, Vsevolod Katritch, Raymond C Stevens, Ruben Abagyan. Structure 2011
Irina Kufareva, Manuel Rueda, Vsevolod Katritch, Raymond C Stevens, Ruben Abagyan. Structure 2011
20
GPCR-ModSim: A comprehensive web based solution for modeling G-protein coupled receptors.
Mauricio Esguerra, Alexey Siretskiy, Xabier Bello, Jessica Sallander, Hugo Gutiérrez-de-Terán. Nucleic Acids Res 2016
Mauricio Esguerra, Alexey Siretskiy, Xabier Bello, Jessica Sallander, Hugo Gutiérrez-de-Terán. Nucleic Acids Res 2016
20
GPCRmd uncovers the dynamics of the 3D-GPCRome.
Ismael Rodríguez-Espigares, Mariona Torrens-Fontanals, Johanna K S Tiemann, David Aranda-García, Juan Manuel Ramírez-Anguita, Tomasz Maciej Stepniewski, Nathalie Worp, Alejandro Varela-Rial, Adrián Morales-Pastor, Brian Medel-Lacruz,[...]. Nat Methods 2020
Ismael Rodríguez-Espigares, Mariona Torrens-Fontanals, Johanna K S Tiemann, David Aranda-García, Juan Manuel Ramírez-Anguita, Tomasz Maciej Stepniewski, Nathalie Worp, Alejandro Varela-Rial, Adrián Morales-Pastor, Brian Medel-Lacruz,[...]. Nat Methods 2020
20
Structure of the human dopamine D3 receptor in complex with a D2/D3 selective antagonist.
Ellen Y T Chien, Wei Liu, Qiang Zhao, Vsevolod Katritch, Gye Won Han, Michael A Hanson, Lei Shi, Amy Hauck Newman, Jonathan A Javitch, Vadim Cherezov,[...]. Science 2010
Ellen Y T Chien, Wei Liu, Qiang Zhao, Vsevolod Katritch, Gye Won Han, Michael A Hanson, Lei Shi, Amy Hauck Newman, Jonathan A Javitch, Vadim Cherezov,[...]. Science 2010
20
D4 dopamine receptor high-resolution structures enable the discovery of selective agonists.
Sheng Wang, Daniel Wacker, Anat Levit, Tao Che, Robin M Betz, John D McCorvy, A J Venkatakrishnan, Xi-Ping Huang, Ron O Dror, Brian K Shoichet,[...]. Science 2017
Sheng Wang, Daniel Wacker, Anat Levit, Tao Che, Robin M Betz, John D McCorvy, A J Venkatakrishnan, Xi-Ping Huang, Ron O Dror, Brian K Shoichet,[...]. Science 2017
20
How Ligands Illuminate GPCR Molecular Pharmacology.
Daniel Wacker, Raymond C Stevens, Bryan L Roth. Cell 2017
Daniel Wacker, Raymond C Stevens, Bryan L Roth. Cell 2017
20
The Protein Data Bank.
H M Berman, J Westbrook, Z Feng, G Gilliland, T N Bhat, H Weissig, I N Shindyalov, P E Bourne. Nucleic Acids Res 2000
H M Berman, J Westbrook, Z Feng, G Gilliland, T N Bhat, H Weissig, I N Shindyalov, P E Bourne. Nucleic Acids Res 2000
20
Crystal structure of the β2 adrenergic receptor-Gs protein complex.
Søren G F Rasmussen, Brian T DeVree, Yaozhong Zou, Andrew C Kruse, Ka Young Chung, Tong Sun Kobilka, Foon Sun Thian, Pil Seok Chae, Els Pardon, Diane Calinski,[...]. Nature 2011
Søren G F Rasmussen, Brian T DeVree, Yaozhong Zou, Andrew C Kruse, Ka Young Chung, Tong Sun Kobilka, Foon Sun Thian, Pil Seok Chae, Els Pardon, Diane Calinski,[...]. Nature 2011
20
The Molecular Basis of G Protein-Coupled Receptor Activation.
William I Weis, Brian K Kobilka. Annu Rev Biochem 2018
William I Weis, Brian K Kobilka. Annu Rev Biochem 2018
20
Crystal structure of rhodopsin: A G protein-coupled receptor.
K Palczewski, T Kumasaka, T Hori, C A Behnke, H Motoshima, B A Fox, I Le Trong, D C Teller, T Okada, R E Stenkamp,[...]. Science 2000
K Palczewski, T Kumasaka, T Hori, C A Behnke, H Motoshima, B A Fox, I Le Trong, D C Teller, T Okada, R E Stenkamp,[...]. Science 2000
20
Ultra-large library docking for discovering new chemotypes.
Jiankun Lyu, Sheng Wang, Trent E Balius, Isha Singh, Anat Levit, Yurii S Moroz, Matthew J O'Meara, Tao Che, Enkhjargal Algaa, Kateryna Tolmachova,[...]. Nature 2019
Jiankun Lyu, Sheng Wang, Trent E Balius, Isha Singh, Anat Levit, Yurii S Moroz, Matthew J O'Meara, Tao Che, Enkhjargal Algaa, Kateryna Tolmachova,[...]. Nature 2019
20
Directory of useful decoys, enhanced (DUD-E): better ligands and decoys for better benchmarking.
Michael M Mysinger, Michael Carchia, John J Irwin, Brian K Shoichet. J Med Chem 2012
Michael M Mysinger, Michael Carchia, John J Irwin, Brian K Shoichet. J Med Chem 2012
20
Highly accurate protein structure prediction with AlphaFold.
John Jumper, Richard Evans, Alexander Pritzel, Tim Green, Michael Figurnov, Olaf Ronneberger, Kathryn Tunyasuvunakool, Russ Bates, Augustin Žídek, Anna Potapenko,[...]. Nature 2021
John Jumper, Richard Evans, Alexander Pritzel, Tim Green, Michael Figurnov, Olaf Ronneberger, Kathryn Tunyasuvunakool, Russ Bates, Augustin Žídek, Anna Potapenko,[...]. Nature 2021
20
SWISS-MODEL: homology modelling of protein structures and complexes.
Andrew Waterhouse, Martino Bertoni, Stefan Bienert, Gabriel Studer, Gerardo Tauriello, Rafal Gumienny, Florian T Heer, Tjaart A P de Beer, Christine Rempfer, Lorenza Bordoli,[...]. Nucleic Acids Res 2018
Andrew Waterhouse, Martino Bertoni, Stefan Bienert, Gabriel Studer, Gerardo Tauriello, Rafal Gumienny, Florian T Heer, Tjaart A P de Beer, Christine Rempfer, Lorenza Bordoli,[...]. Nucleic Acids Res 2018
15
Activation and allosteric modulation of a muscarinic acetylcholine receptor.
Andrew C Kruse, Aaron M Ring, Aashish Manglik, Jianxin Hu, Kelly Hu, Katrin Eitel, Harald Hübner, Els Pardon, Celine Valant, Patrick M Sexton,[...]. Nature 2013
Andrew C Kruse, Aaron M Ring, Aashish Manglik, Jianxin Hu, Kelly Hu, Katrin Eitel, Harald Hübner, Els Pardon, Celine Valant, Patrick M Sexton,[...]. Nature 2013
15
Comparative protein modelling by satisfaction of spatial restraints.
A Sali, T L Blundell. J Mol Biol 1993
A Sali, T L Blundell. J Mol Biol 1993
15
GOMoDo: A GPCRs online modeling and docking webserver.
Massimo Sandal, Tran Phuoc Duy, Matteo Cona, Hoang Zung, Paolo Carloni, Francesco Musiani, Alejandro Giorgetti. PLoS One 2013
Massimo Sandal, Tran Phuoc Duy, Matteo Cona, Hoang Zung, Paolo Carloni, Francesco Musiani, Alejandro Giorgetti. PLoS One 2013
15
An online resource for GPCR structure determination and analysis.
Christian Munk, Eshita Mutt, Vignir Isberg, Louise F Nikolajsen, Janne M Bibbe, Tilman Flock, Michael A Hanson, Raymond C Stevens, Xavier Deupi, David E Gloriam. Nat Methods 2019
Christian Munk, Eshita Mutt, Vignir Isberg, Louise F Nikolajsen, Janne M Bibbe, Tilman Flock, Michael A Hanson, Raymond C Stevens, Xavier Deupi, David E Gloriam. Nat Methods 2019
15
Influence of the Structural Accuracy of Homology Models on Their Applicability to Docking-Based Virtual Screening: The β2 Adrenergic Receptor as a Case Study.
Stefano Costanzi, Austin Cohen, Abigail Danfora, Marjan Dolatmoradi. J Chem Inf Model 2019
Stefano Costanzi, Austin Cohen, Abigail Danfora, Marjan Dolatmoradi. J Chem Inf Model 2019
42
A comprehensive map of molecular drug targets.
Rita Santos, Oleg Ursu, Anna Gaulton, A Patrícia Bento, Ramesh S Donadi, Cristian G Bologa, Anneli Karlsson, Bissan Al-Lazikani, Anne Hersey, Tudor I Oprea,[...]. Nat Rev Drug Discov 2017
Rita Santos, Oleg Ursu, Anna Gaulton, A Patrícia Bento, Ramesh S Donadi, Cristian G Bologa, Anneli Karlsson, Bissan Al-Lazikani, Anne Hersey, Tudor I Oprea,[...]. Nat Rev Drug Discov 2017
15
Fragment optimization for GPCRs by molecular dynamics free energy calculations: Probing druggable subpockets of the A 2A adenosine receptor binding site.
Pierre Matricon, Anirudh Ranganathan, Eugene Warnick, Zhan-Guo Gao, Axel Rudling, Catia Lambertucci, Gabriella Marucci, Aitakin Ezzati, Mariama Jaiteh, Diego Dal Ben,[...]. Sci Rep 2017
Pierre Matricon, Anirudh Ranganathan, Eugene Warnick, Zhan-Guo Gao, Axel Rudling, Catia Lambertucci, Gabriella Marucci, Aitakin Ezzati, Mariama Jaiteh, Diego Dal Ben,[...]. Sci Rep 2017
15
Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes.
Richard A Friesner, Robert B Murphy, Matthew P Repasky, Leah L Frye, Jeremy R Greenwood, Thomas A Halgren, Paul C Sanschagrin, Daniel T Mainz. J Med Chem 2006
Richard A Friesner, Robert B Murphy, Matthew P Repasky, Leah L Frye, Jeremy R Greenwood, Thomas A Halgren, Paul C Sanschagrin, Daniel T Mainz. J Med Chem 2006
15
Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser.
Yanyong Kang, X Edward Zhou, Xiang Gao, Yuanzheng He, Wei Liu, Andrii Ishchenko, Anton Barty, Thomas A White, Oleksandr Yefanov, Gye Won Han,[...]. Nature 2015
Yanyong Kang, X Edward Zhou, Xiang Gao, Yuanzheng He, Wei Liu, Andrii Ishchenko, Anton Barty, Thomas A White, Oleksandr Yefanov, Gye Won Han,[...]. Nature 2015
15
GPCR Dynamics: Structures in Motion.
Naomi R Latorraca, A J Venkatakrishnan, Ron O Dror. Chem Rev 2017
Naomi R Latorraca, A J Venkatakrishnan, Ron O Dror. Chem Rev 2017
15
Structure-Based Virtual Screening for Dopamine D2 Receptor Ligands as Potential Antipsychotics.
Agnieszka A Kaczor, Andrea G Silva, María I Loza, Peter Kolb, Marián Castro, Antti Poso. ChemMedChem 2016
Agnieszka A Kaczor, Andrea G Silva, María I Loza, Peter Kolb, Marián Castro, Antti Poso. ChemMedChem 2016
15
Allosteric modulators of GPCRs: a novel approach for the treatment of CNS disorders.
P Jeffrey Conn, Arthur Christopoulos, Craig W Lindsley. Nat Rev Drug Discov 2009
P Jeffrey Conn, Arthur Christopoulos, Craig W Lindsley. Nat Rev Drug Discov 2009
15
G Protein-Coupled Receptors as Targets for Approved Drugs: How Many Targets and How Many Drugs?
Krishna Sriram, Paul A Insel. Mol Pharmacol 2018
Krishna Sriram, Paul A Insel. Mol Pharmacol 2018
15
Structure-based virtual screening of the nociceptin receptor: hybrid docking and shape-based approaches for improved hit identification.
Pankaj R Daga, Willma E Polgar, Nurulain T Zaveri. J Chem Inf Model 2014
Pankaj R Daga, Willma E Polgar, Nurulain T Zaveri. J Chem Inf Model 2014
15
Virtual fragment screening on GPCRs: a case study on dopamine D3 and histamine H4 receptors.
Márton Vass, Éva Schmidt, Ferenc Horti, György M Keserű. Eur J Med Chem 2014
Márton Vass, Éva Schmidt, Ferenc Horti, György M Keserű. Eur J Med Chem 2014
15
A benchmarking study on virtual ligand screening against homology models of human GPCRs.
Victor Jun Yu Lim, Weina Du, Yu Zong Chen, Hao Fan. Proteins 2018
Victor Jun Yu Lim, Weina Du, Yu Zong Chen, Hao Fan. Proteins 2018
27
New Binding Sites, New Opportunities for GPCR Drug Discovery.
H C Stephen Chan, Yi Li, Thamani Dahoun, Horst Vogel, Shuguang Yuan. Trends Biochem Sci 2019
H C Stephen Chan, Yi Li, Thamani Dahoun, Horst Vogel, Shuguang Yuan. Trends Biochem Sci 2019
15
Crystal structure-based virtual screening for fragment-like ligands of the human histamine H(1) receptor.
Chris de Graaf, Albert J Kooistra, Henry F Vischer, Vsevolod Katritch, Martien Kuijer, Mitsunori Shiroishi, So Iwata, Tatsuro Shimamura, Raymond C Stevens, Iwan J P de Esch,[...]. J Med Chem 2011
Chris de Graaf, Albert J Kooistra, Henry F Vischer, Vsevolod Katritch, Martien Kuijer, Mitsunori Shiroishi, So Iwata, Tatsuro Shimamura, Raymond C Stevens, Iwan J P de Esch,[...]. J Med Chem 2011
15
Ligand pose and orientational sampling in molecular docking.
Ryan G Coleman, Michael Carchia, Teague Sterling, John J Irwin, Brian K Shoichet. PLoS One 2013
Ryan G Coleman, Michael Carchia, Teague Sterling, John J Irwin, Brian K Shoichet. PLoS One 2013
15
Structure-based ligand discovery for the protein-protein interface of chemokine receptor CXCR4.
Michael M Mysinger, Dahlia R Weiss, Joshua J Ziarek, Stéphanie Gravel, Allison K Doak, Joel Karpiak, Nikolaus Heveker, Brian K Shoichet, Brian F Volkman. Proc Natl Acad Sci U S A 2012
Michael M Mysinger, Dahlia R Weiss, Joshua J Ziarek, Stéphanie Gravel, Allison K Doak, Joel Karpiak, Nikolaus Heveker, Brian K Shoichet, Brian F Volkman. Proc Natl Acad Sci U S A 2012
15
Docking Screens for Novel Ligands Conferring New Biology.
John J Irwin, Brian K Shoichet. J Med Chem 2016
John J Irwin, Brian K Shoichet. J Med Chem 2016
15
A geometric approach to macromolecule-ligand interactions.
I D Kuntz, J M Blaney, S J Oatley, R Langridge, T E Ferrin. J Mol Biol 1982
I D Kuntz, J M Blaney, S J Oatley, R Langridge, T E Ferrin. J Mol Biol 1982
15
AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility.
Garrett M Morris, Ruth Huey, William Lindstrom, Michel F Sanner, Richard K Belew, David S Goodsell, Arthur J Olson. J Comput Chem 2009
Garrett M Morris, Ruth Huey, William Lindstrom, Michel F Sanner, Richard K Belew, David S Goodsell, Arthur J Olson. J Comput Chem 2009
15
Structure-Guided Screening for Functionally Selective D2 Dopamine Receptor Ligands from a Virtual Chemical Library.
Barbara Männel, Mariama Jaiteh, Alexey Zeifman, Alena Randakova, Dorothee Möller, Harald Hübner, Peter Gmeiner, Jens Carlsson. ACS Chem Biol 2017
Barbara Männel, Mariama Jaiteh, Alexey Zeifman, Alena Randakova, Dorothee Möller, Harald Hübner, Peter Gmeiner, Jens Carlsson. ACS Chem Biol 2017
15
Open Babel: An open chemical toolbox.
Noel M O'Boyle, Michael Banck, Craig A James, Chris Morley, Tim Vandermeersch, Geoffrey R Hutchison. J Cheminform 2011
Noel M O'Boyle, Michael Banck, Craig A James, Chris Morley, Tim Vandermeersch, Geoffrey R Hutchison. J Cheminform 2011
15
Co-cited is the co-citation frequency, indicating how many articles cite the article together with the query article. Similarity is the co-citation as percentage of the times cited of the query article or the article in the search results, whichever is the lowest. These numbers are calculated for the last 100 citations when articles are cited more than 100 times.