WScore: A Flexible and Accurate Treatment of Explicit Water Molecules in Ligand–Receptor Docking
Murphy, Robert B, Repasky, Matthew P, Greenwood, Jeremy R, Tubert-Brohman, Ivan, Jerome, Steven, Annabhimoju, Ramakrishna, Boyles, Nicholas A, Schmitz, Christopher D, Abel, Robert, Farid, Ramy, Friesner, Richard A
Published in Journal of medicinal chemistry (12.05.2016)
Published in Journal of medicinal chemistry (12.05.2016)
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Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279
Leit, Silvana, Greenwood, Jeremy, Carriero, Samantha, Mondal, Sayan, Abel, Robert, Ashwell, Mark, Blanchette, Heather, Boyles, Nicholas A., Cartwright, Mark, Collis, Alan, Feng, Shulu, Ghanakota, Phani, Harriman, Geraldine C., Hosagrahara, Vinayak, Kaila, Neelu, Kapeller, Rosanna, Rafi, Salma B., Romero, Donna L., Tarantino, Paul M., Timaniya, Jignesh, Toms, Angela V., Wester, Ronald T., Westlin, William, Srivastava, Bhaskar, Miao, Wenyan, Tummino, Peter, McElwee, Joshua J., Edmondson, Scott D., Masse, Craig E.
Published in Journal of medicinal chemistry (10.08.2023)
Published in Journal of medicinal chemistry (10.08.2023)
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Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors
Michino, Mayako, Beautrait, Alexandre, Boyles, Nicholas A., Nadupalli, Aparna, Dementiev, Alexey, Sun, Shan, Ginn, John, Baxt, Leigh, Suto, Robert, Bryk, Ruslana, Jerome, Steven V., Huggins, David J., Vendome, Jeremie
Published in ACS bio & med chem au (20.12.2023)
Published in ACS bio & med chem au (20.12.2023)
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Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein–Ligand Binding
Miller, Edward B, Murphy, Robert B, Sindhikara, Daniel, Borrelli, Kenneth W, Grisewood, Matthew J, Ranalli, Fabio, Dixon, Steven L, Jerome, Steven, Boyles, Nicholas A, Day, Tyler, Ghanakota, Phani, Mondal, Sayan, Rafi, Salma B, Troast, Dawn M, Abel, Robert, Friesner, Richard A
Published in Journal of chemical theory and computation (13.04.2021)
Published in Journal of chemical theory and computation (13.04.2021)
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AutoDesigner, a De Novo Design Algorithm for Rapidly Exploring Large Chemical Space for Lead Optimization: Application to the Design and Synthesis of d‑Amino Acid Oxidase Inhibitors
Bos, Pieter H, Houang, Evelyne M, Ranalli, Fabio, Leffler, Abba E, Boyles, Nicholas A, Eyrich, Volker A, Luria, Yuval, Katz, Dana, Tang, Haifeng, Abel, Robert, Bhat, Sathesh
Published in Journal of chemical information and modeling (25.04.2022)
Published in Journal of chemical information and modeling (25.04.2022)
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암의 치료를 위한 포스포이노시티드 3-키나제 (PI3K)의 알로스테릭 크로메논 억제제
DAWADI SURENDRA, WIDJAJA TIEN, LONG KATELYN FRANCES, ARONOW SEAN DOUGLAS, KNIGHT JENNIFER LYNN, KOLAKOWSKI GABRIELLE R, WANG HUA YU, ANDERSON ERIN DANIELLE, HICKEY EUGENE R, IRVIN THOMAS COMBS, MCLEAN JOHNATHAN ALEXANDER, WELCH MICHAEL BRIAN, MAYNE CHRISTOPHER GLENN, KUMAR MANOJ, CHEN XIAOHONG, BOYLES NICHOLAS A, POTOTSCHNIG GERIT MARIA, KESICKI EDWARD A
Year of Publication 31.01.2024
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Year of Publication 31.01.2024
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질환의 치료를 위한 포스포이노시티드 3-키나제 (PI3K)의 알로스테릭 크로메논 억제제
DAWADI SURENDRA, PICADO ALFREDO, WIDJAJA TIEN, LONG KATELYN FRANCES, ARONOW SEAN DOUGLAS, KNIGHT JENNIFER LYNN, KOLAKOWSKI GABRIELLE R, WANG HUA YU, ANDERSON ERIN DANIELLE, HICKEY EUGENE R, WRIGHT NATHAN EDWARD, IRVIN THOMAS COMBS, WELCH MICHAEL BRIAN, MAYNE CHRISTOPHER GLENN, KUMAR MANOJ, CHEN XIAOHONG, BOYLES NICHOLAS A, POTOTSCHNIG GERIT MARIA, KESICKI EDWARD A
Year of Publication 11.01.2024
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Year of Publication 11.01.2024
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질환의 치료를 위한 포스포이노시티드 3-키나제 (PI3K)의 알로스테릭 크로메논 억제제
DAWADI SURENDRA, PICADO ALFREDO, WIDJAJA TIEN, LONG KATELYN FRANCES, ARONOW SEAN DOUGLAS, KNIGHT JENNIFER LYNN, KOLAKOWSKI GABRIELLE R, WANG HUA YU, ANDERSON ERIN DANIELLE, HICKEY EUGENE R, WRIGHT NATHAN EDWARD, IRVIN THOMAS COMBS, WELCH MICHAEL BRIAN, MAYNE CHRISTOPHER GLENN, KUMAR MANOJ, CHEN XIAOHONG, BOYLES NICHOLAS A, POTOTSCHNIG GERIT MARIA, KESICKI EDWARD A
Year of Publication 11.01.2024
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Year of Publication 11.01.2024
Patent
포스포이노시티드 3-키나제 (PI3K) 조정과 연관된 질환의 치료를 위한 PI3K의 알로스테릭 크로메논 억제제
DAHLGREN MARKUS K, WIDJAJA TIEN, LONG KATELYN FRANCES, MCELLIGOTT DAVID L, ARONOW SEAN DOUGLAS, KNIGHT JENNIFER LYNN, KOLAKOWSKI GABRIELLE R, KLIPPEL GIESE ANKE, ANDERSON ERIN DANIELLE, FENG SHULU, HICKEY EUGENE R, SEVERANCE DANIEL LEE, IRVIN THOMAS COMBS, PUCA LOREDANA, MCLEAN JOHNATHAN ALEXANDER, WELCH MICHAEL BRIAN, MAYNE CHRISTOPHER GLENN, GERASYUTO ALEKSEY I, KUMAR MANOJ, RAVI KANNAN KARUKURICHI, BOYLES NICHOLAS A, KESICKI EDWARD A
Year of Publication 09.12.2022
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Year of Publication 09.12.2022
Patent
Abstract 2570: Discovery of potent, selective, and orally available WEE1 inhibitors that demonstrate increased DNA damage and mitosis in tumor cells leading to tumor regression in vivo
Sun, Shaoxian, Silvergleid, Sarah, Gerasyuto, Aleksey I., Wang, Jiashi, Pelletier, Robert D., Placzek, Andrew, Knight, Jennifer L., Clark, Anthony, Wright, Hamish, Yin, Wu, Elk, Jackson Chief, Bell, Jeff, Bos, Pieter H., Boyles, Nicholas A., Therrien, Eric, Jensen, Kristian, Akinsanya, Karen
Published in Cancer research (Chicago, Ill.) (15.06.2022)
Published in Cancer research (Chicago, Ill.) (15.06.2022)
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ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF CANCER
DAWADI, Surendra, ANDERSON, Erin Danielle, HICKEY, Eugene R, CHEN, Xiaohong, POTOTSCHNIG, Gerit Maria, KOLAKOWSKI, Gabrielle R, MCLEAN, Johnathan Alexander, WIDJAJA, Tien, IRVIN, Thomas Combs, WELCH, Michael Brian, LONG, Katelyn Frances, ARONOW, Sean Douglas, KNIGHT, Jennifer Lynn, WANG, Hua-Yu, BOYLES, Nicholas A, KUMAR, Manoj, MAYNE, Christopher Glenn, KESICKI, Edward A
Year of Publication 10.04.2024
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Year of Publication 10.04.2024
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Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of diseases associated with PI3K modulation
ANDERSON, Erin Danielle, GERASYUTO, Aleksey I, HICKEY, Eugene R, FENG, Shulu, KOLAKOWSKI, Gabrielle R, MCLEAN, Johnathan Alexander, SEVERANCE, Daniel Lee, WIDJAJA, Tien, MCELLIGOTT, David L, IRVIN, Thomas Combs, PUCA, Loredana, RAVI, Kannan Karukurichi, WELCH, Michael Brian, LONG, Katelyn Frances, ARONOW, Sean Douglas, KNIGHT, Jennifer Lynn, BOYLES, Nicholas A, KUMAR, Manoj, KLIPPEL-GIESE, Anke, MAYNE, Christopher Glenn, DAHLGREN, Markus K, KESICKI, Edward A
Year of Publication 21.03.2024
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Year of Publication 21.03.2024
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ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE
DAWADI, Surendra, ANDERSON, Erin Danielle, HICKEY, Eugene R, CHEN, Xiaohong, POTOTSCHNIG, Gerit Maria, KOLAKOWSKI, Gabrielle R, WIDJAJA, Tien, WRIGHT, Nathan Edward, IRVIN, Thomas Combs, WELCH, Michael Brian, LONG, Katelyn Frances, ARONOW, Sean Douglas, KNIGHT, Jennifer Lynn, WANG, Hua-Yu, BOYLES, Nicholas A, PICADO, Alfredo, KUMAR, Manoj, MAYNE, Christopher Glenn, KESICKI, Edward A
Year of Publication 13.03.2024
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Year of Publication 13.03.2024
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ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE
DAWADI, Surendra, BOYLES, Nicholas, A, KESICKI, Edward, A, CHEN, Xiaohong, POTOTSCHNIG, Gerit, Maria, ANDERSON, Erin, Danielle, LONG, Katelyn, Frances, WIDJAJA, Tien, KOLAKOWSKI, Gabrielle, R, HICKEY, Eugene, R, IRVIN, Thomas, Combs, KNIGHT, Jennifer, Lynn, WANG, Hua-Yu, WRIGHT, Nathan, Edward, PICADO, Alfredo, WELCH, Michael, Brian, KUMAR, Manoj, MAYNE, Christopher, Glenn, ARONOW, Sean, Douglas
Year of Publication 13.03.2024
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Year of Publication 13.03.2024
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ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE
DAWADI, Surendra, ANDERSON, Erin Danielle, HICKEY, Eugene R, CHEN, Xiaohong, POTOTSCHNIG, Gerit Maria, KOLAKOWSKI, Gabrielle R, WIDJAJA, Tien, WRIGHT, Nathan Edward, IRVIN, Thomas Combs, WELCH, Michael Brian, LONG, Katelyn Frances, ARONOW, Sean Douglas, KNIGHT, Jennifer Lynn, WANG, Hua-Yu, BOYLES, Nicholas A, PICADO, Alfredo, KUMAR, Manoj, MAYNE, Christopher Glenn, KESICKI, Edward A
Year of Publication 15.02.2024
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Year of Publication 15.02.2024
Patent
Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease
Wang, Hua-Yu, Knight, Jennifer Lynn, Kesicki, Edward A, Dawadi, Surendra, Mayne, Christopher Glenn, Chen, Xiaohong, Long, Katelyn Frances, Aronow, Sean Douglas, Widjaja, Tien, Hickey, Eugene R, Kolakowski, Gabrielle R, Irvin, Thomas Combs, Anderson, Erin Danielle, Boyles, Nicholas A, Pototschnig, Gerit Maria, Kumar, Manoj, Welch, Michael Brian, McLean, Johnathan Alexander
Year of Publication 23.01.2024
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Year of Publication 23.01.2024
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Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease
Wang, Hua-Yu, Knight, Jennifer Lynn, Kesicki, Edward A, Dawadi, Surendra, Mayne, Christopher Glenn, Long, Katelyn Frances, Chen, Xiaohong, Aronow, Sean Douglas, Widjaja, Tien, Hickey, Eugene R, Kolakowski, Gabrielle R, Irvin, Thomas Combs, Anderson, Erin Danielle, Picado, Alfredo, Boyles, Nicholas A, Pototschnig, Gerit Maria, Kumar, Manoj, Welch, Michael Brian, Wright, Nathan Edward
Year of Publication 16.01.2024
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Year of Publication 16.01.2024
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ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF CANCER
DAWADI, Surendra, ANDERSON, Erin Danielle, HICKEY, Eugene R, CHEN, Xiaohong, POTOTSCHNIG, Gerit Maria, KOLAKOWSKI, Gabrielle R, MCLEAN, Johnathan Alexander, WIDJAJA, Tien, IRVIN, Thomas Combs, WELCH, Michael Brian, LONG, Katelyn Frances, ARONOW, Sean Douglas, KNIGHT, Jennifer Lynn, WANG, Hua-Yu, BOYLES, Nicholas A, KUMAR, Manoj, MAYNE, Christopher Glenn, KESICKI, Edward A
Year of Publication 07.12.2023
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Year of Publication 07.12.2023
Patent
ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE
DAWADI, Surendra, ANDERSON, Erin Danielle, HICKEY, Eugene R, CHEN, Xiaohong, POTOTSCHNIG, Gerit Maria, KOLAKOWSKI, Gabrielle R, WIDJAJA, Tien, WRIGHT, Nathan Edward, IRVIN, Thomas Combs, WELCH, Michael Brian, LONG, Katelyn Frances, ARONOW, Sean Douglas, KNIGHT, Jennifer Lynn, WANG, Hua-Yu, BOYLES, Nicholas A, PICADO, Alfredo, KUMAR, Manoj, MAYNE, Christopher Glenn, KESICKI, Edward A
Year of Publication 02.11.2023
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Year of Publication 02.11.2023
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ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE
ANDERSON, Erin Danielle, GERASYUTO, Aleksey I, HICKEY, Eugene R, FENG, Shulu, KOLAKOWSKI, Gabrielle R, MCLEAN, Johnathan Alexander, SEVERANCE, Daniel Lee, WIDJAJA, Tien, MCELLIGOTT, David L, IRVIN, Thomas Combs, PUCA, Loredana, RAVI, Kannan Karukurichi, WELCH, Michael Brian, LONG, Katelyn Frances, ARONOW, Sean Douglas, KNIGHT, Jennifer Lynn, BOYLES, Nicholas A, KUMAR, Manoj, KLIPPEL-GIESE, Anke, MAYNE, Christopher Glenn, DAHLGREN, Markus K, KESICKI, Edward A
Year of Publication 14.09.2023
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Year of Publication 14.09.2023
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