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PELE-MSM: A Monte Carlo Based Protocol for the Estimation of Absolute Binding Free Energies. [electronic resource] by
- Gilabert, Joan F
- Grebner, Christoph
- Soler, Daniel
- Lecina, Daniel
- Municoy, Martí
- Gracia Carmona, Oriol
- Soliva, Robert
- Packer, Martin J
- Hughes, Samantha J
- Tyrchan, Christian
- Hogner, Anders
- Guallar, Victor
Producer: 20191120
In:
Journal of chemical theory and computation vol. 15
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23.
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Free Ligand 1D NMR Conformational Signatures To Enhance Structure Based Drug Design of a Mcl-1 Inhibitor (AZD5991) and Other Synthetic Macrocycles. [electronic resource] by
- Balazs, Amber Y S
- Carbajo, Rodrigo J
- Davies, Nichola L
- Dong, Yu
- Hird, Alexander W
- Johannes, Jeffrey W
- Lamb, Michelle L
- McCoull, William
- Raubo, Piotr
- Robb, Graeme R
- Packer, Martin J
- Chiarparin, Elisabetta
Producer: 20200615
In:
Journal of medicinal chemistry vol. 62
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24.
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Novel acidic 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitor with reduced acyl glucuronide liability: the discovery of 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid (AZD8329). [electronic resource] by
- Scott, James S
- deSchoolmeester, Joanne
- Kilgour, Elaine
- Mayers, Rachel M
- Packer, Martin J
- Hargreaves, David
- Gerhardt, Stefan
- Ogg, Derek J
- Rees, Amanda
- Selmi, Nidhal
- Stocker, Andrew
- Swales, John G
- Whittamore, Paul R O
Producer: 20130205
In:
Journal of medicinal chemistry vol. 55
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25.
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Discovery of a potent, selective, and orally bioavailable acidic 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitor: discovery of 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic acid (AZD4017). [electronic resource] by
- Scott, James S
- Bowker, Suzanne S
- Deschoolmeester, Joanne
- Gerhardt, Stefan
- Hargreaves, David
- Kilgour, Elaine
- Lloyd, Adele
- Mayers, Rachel M
- McCoull, William
- Newcombe, Nicholas J
- Ogg, Derek
- Packer, Martin J
- Rees, Amanda
- Revill, John
- Schofield, Paul
- Selmi, Nidhal
- Swales, John G
- Whittamore, Paul R O
Producer: 20120907
In:
Journal of medicinal chemistry vol. 55
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26.
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Discovery and pharmacological characterization of AZD3229, a potent KIT/PDGFRα inhibitor for treatment of gastrointestinal stromal tumors. [electronic resource] by
- Banks, Erica
- Grondine, Michael
- Bhavsar, Deepa
- Barry, Evan
- Kettle, Jason G
- Reddy, Venkatesh Pilla
- Brown, Crystal
- Wang, Haiyun
- Mettetal, Jerome T
- Collins, Teresa
- Adeyemi, Oladipupo
- Overman, Ross
- Lawson, Deborah
- Harmer, Alexander R
- Reimer, Corinne
- Drew, Lisa
- Packer, Martin J
- Cosulich, Sabina
- Jones, Rhys DO
- Shao, Wenlin
- Wilson, David
- Guichard, Sylvie
- Fawell, Stephen
- Anjum, Rana
Producer: 20210623
In:
Science translational medicine vol. 12
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27.
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Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells. [electronic resource] by
- Jones, Stuart
- Ahmet, Jonathan
- Ayton, Kelly
- Ball, Matthew
- Cockerill, Mark
- Fairweather, Emma
- Hamilton, Nicola
- Harper, Paul
- Hitchin, James
- Jordan, Allan
- Levy, Colin
- Lopez, Ruth
- McKenzie, Eddie
- Packer, Martin
- Plant, Darren
- Simpson, Iain
- Simpson, Peter
- Sinclair, Ian
- Somervaille, Tim C P
- Small, Helen
- Spencer, Gary J
- Thomson, Graeme
- Tonge, Michael
- Waddell, Ian
- Walsh, Jarrod
- Waszkowycz, Bohdan
- Wigglesworth, Mark
- Wiseman, Daniel H
- Ogilvie, Donald
Producer: 20170619
In:
Journal of medicinal chemistry vol. 59
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28.
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Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. [electronic resource] by
- Kettle, Jason G
- Anjum, Rana
- Barry, Evan
- Bhavsar, Deepa
- Brown, Crystal
- Boyd, Scott
- Campbell, Andrew
- Goldberg, Kristin
- Grondine, Michael
- Guichard, Sylvie
- Hardy, Christopher J
- Hunt, Tom
- Jones, Rhys D O
- Li, Xiuwei
- Moleva, Olga
- Ogg, Derek
- Overman, Ross C
- Packer, Martin J
- Pearson, Stuart
- Schimpl, Marianne
- Shao, Wenlin
- Smith, Aaron
- Smith, James M
- Stead, Darren
- Stokes, Steve
- Tucker, Michael
- Ye, Yang
Producer: 20191007
In:
Journal of medicinal chemistry vol. 61
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29.
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Identification, optimisation and in vivo evaluation of oxadiazole DGAT-1 inhibitors for the treatment of obesity and diabetes. [electronic resource] by
- McCoull, William
- Addie, Matthew S
- Birch, Alan M
- Birtles, Susan
- Buckett, Linda K
- Butlin, Roger J
- Bowker, Suzanne S
- Boyd, Scott
- Chapman, Stephen
- Davies, Robert D M
- Donald, Craig S
- Green, Clive P
- Jenner, Chloe
- Kemmitt, Paul D
- Leach, Andrew G
- Moody, Graeme C
- Gutierrez, Pablo Morentin
- Newcombe, Nicholas J
- Nowak, Thorsten
- Packer, Martin J
- Plowright, Alleyn T
- Revill, John
- Schofield, Paul
- Sheldon, Chris
- Stokes, Steve
- Turnbull, Andrew V
- Wang, Steven J Y
- Whalley, David P
- Wood, J Matthew
Producer: 20120925
In:
Bioorganic & medicinal chemistry letters vol. 22
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30.
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Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors. [electronic resource] by
- Johannes, Jeffrey W
- Bates, Stephanie
- Beigie, Carl
- Belmonte, Matthew A
- Breen, John
- Cao, Shenggen
- Centrella, Paolo A
- Clark, Matthew A
- Cuozzo, John W
- Dumelin, Christoph E
- Ferguson, Andrew D
- Habeshian, Sevan
- Hargreaves, David
- Joubran, Camil
- Kazmirski, Steven
- Keefe, Anthony D
- Lamb, Michelle L
- Lan, Haiye
- Li, Yunxia
- Ma, Hao
- Mlynarski, Scott
- Packer, Martin J
- Rawlins, Philip B
- Robbins, Daniel W
- Shen, Haidong
- Sigel, Eric A
- Soutter, Holly H
- Su, Nancy
- Troast, Dawn M
- Wang, Haiyun
- Wickson, Kate F
- Wu, Chengyan
- Zhang, Ying
- Zhao, Qiuying
- Zheng, Xiaolan
- Hird, Alexander W
Publication details: ACS medicinal chemistry letters Feb 2017
In:
ACS medicinal chemistry letters vol. 8
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31.
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Correction to "Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors". [electronic resource] by
- Johannes, Jeffrey W
- Bates, Stephanie
- Beigie, Carl
- Belmonte, Matthew A
- Breen, John
- Cao, Shenggen
- Centrella, Paolo A
- Clark, Matthew A
- Cuozzo, John W
- Dumelin, Christoph E
- Ferguson, Andrew D
- Habeshian, Sevan
- Hargreaves, David
- Joubran, Camil
- Kazmirski, Steven
- Keefe, Anthony D
- Lamb, Michelle L
- Lan, Haiye
- Li, Yunxia
- Ma, Hao
- Mlynarski, Scott
- Packer, Martin J
- Rawlins, Philip B
- Robbins, Daniel W
- Shen, Haidong
- Sigel, Eric A
- Soutter, Holly H
- Su, Nancy
- Troast, Dawn M
- Wang, Haiyun
- Wickson, Kate F
- Wu, Chengyan
- Zhang, Ying
- Zhao, Qiuying
- Zheng, Xiaolan
- Hird, Alexander W
Publication details: ACS medicinal chemistry letters 11 2017
In:
ACS medicinal chemistry letters vol. 8
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32.
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Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia. [electronic resource] by
- Tron, Adriana E
- Belmonte, Matthew A
- Adam, Ammar
- Aquila, Brian M
- Boise, Lawrence H
- Chiarparin, Elisabetta
- Cidado, Justin
- Embrey, Kevin J
- Gangl, Eric
- Gibbons, Francis D
- Gregory, Gareth P
- Hargreaves, David
- Hendricks, J Adam
- Johannes, Jeffrey W
- Johnstone, Ricky W
- Kazmirski, Steven L
- Kettle, Jason G
- Lamb, Michelle L
- Matulis, Shannon M
- Nooka, Ajay K
- Packer, Martin J
- Peng, Bo
- Rawlins, Philip B
- Robbins, Daniel W
- Schuller, Alwin G
- Su, Nancy
- Yang, Wenzhan
- Ye, Qing
- Zheng, Xiaolan
- Secrist, J Paul
- Clark, Edwin A
- Wilson, David M
- Fawell, Stephen E
- Hird, Alexander W
Producer: 20190122
In:
Nature communications vol. 9
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33.
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The Dalton quantum chemistry program system. [electronic resource] by
- Aidas, Kestutis
- Angeli, Celestino
- Bak, Keld L
- Bakken, Vebjørn
- Bast, Radovan
- Boman, Linus
- Christiansen, Ove
- Cimiraglia, Renzo
- Coriani, Sonia
- Dahle, Pål
- Dalskov, Erik K
- Ekström, Ulf
- Enevoldsen, Thomas
- Eriksen, Janus J
- Ettenhuber, Patrick
- Fernández, Berta
- Ferrighi, Lara
- Fliegl, Heike
- Frediani, Luca
- Hald, Kasper
- Halkier, Asger
- Hättig, Christof
- Heiberg, Hanne
- Helgaker, Trygve
- Hennum, Alf Christian
- Hettema, Hinne
- Hjertenæs, Eirik
- Høst, Stinne
- Høyvik, Ida-Marie
- Iozzi, Maria Francesca
- Jansík, Branislav
- Jensen, Hans Jørgen Aa
- Jonsson, Dan
- Jørgensen, Poul
- Kauczor, Joanna
- Kirpekar, Sheela
- Kjærgaard, Thomas
- Klopper, Wim
- Knecht, Stefan
- Kobayashi, Rika
- Koch, Henrik
- Kongsted, Jacob
- Krapp, Andreas
- Kristensen, Kasper
- Ligabue, Andrea
- Lutnæs, Ola B
- Melo, Juan I
- Mikkelsen, Kurt V
- Myhre, Rolf H
- Neiss, Christian
- Nielsen, Christian B
- Norman, Patrick
- Olsen, Jeppe
- Olsen, Jógvan Magnus H
- Osted, Anders
- Packer, Martin J
- Pawlowski, Filip
- Pedersen, Thomas B
- Provasi, Patricio F
- Reine, Simen
- Rinkevicius, Zilvinas
- Ruden, Torgeir A
- Ruud, Kenneth
- Rybkin, Vladimir V
- Sałek, Pawel
- Samson, Claire C M
- de Merás, Alfredo Sánchez
- Saue, Trond
- Sauer, Stephan P A
- Schimmelpfennig, Bernd
- Sneskov, Kristian
- Steindal, Arnfinn H
- Sylvester-Hvid, Kristian O
- Taylor, Peter R
- Teale, Andrew M
- Tellgren, Erik I
- Tew, David P
- Thorvaldsen, Andreas J
- Thøgersen, Lea
- Vahtras, Olav
- Watson, Mark A
- Wilson, David J D
- Ziolkowski, Marcin
- Agren, Hans
Publication details: Wiley interdisciplinary reviews. Computational molecular science May 2014
In:
Wiley interdisciplinary reviews. Computational molecular science vol. 4
Availability: No items available.
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