المؤلفون: Işık, Mehtap, Levorse, Dorothy, Mobley, David L, Rhodes, Timothy, Chodera, John D

المصدر: Journal of Computer-Aided Molecular Design. 34(4)

مصطلحات موضوعية: Medicinal and Biomolecular Chemistry, Chemical Sciences, Bioengineering, Computer Simulation, Drug Discovery, Models, Chemical, Octanols, Solubility, Solvents, Thermodynamics, Water, Octanol-water partition coefficient, log P, Blind prediction challenge, SAMPL, Kinase inhibitor fragments, 4-Aminoquinazoline, Potentiometric log P measurement, Octanol–water partition coefficient, Potentiometric log P measurement, log P, Theoretical and Computational Chemistry, Medicinal & Biomolecular Chemistry, Medicinal and biomolecular chemistry, Theoretical and computational chemistry

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/9pt2d7ck

المؤلفون: Işık, Mehtap, Levorse, Dorothy, Rustenburg, Ariën S, Ndukwe, Ikenna E, Wang, Heather, Wang, Xiao, Reibarkh, Mikhail, Martin, Gary E, Makarov, Alexey A, Mobley, David L, Rhodes, Timothy, Chodera, John D

المصدر: Journal of Computer-Aided Molecular Design. 32(10)

مصطلحات موضوعية: Medicinal and Biomolecular Chemistry, Chemical Sciences, Bioengineering, Heterocyclic Compounds, 1-Ring, Heterocyclic Compounds, 2-Ring, Hydrogen-Ion Concentration, Models, Chemical, Models, Molecular, Protein Kinase Inhibitors, Small Molecule Libraries, Solvents, Thermodynamics, Ultraviolet Rays, Water, Acid dissociation constants, Spectrophotometric pK(a) measurement, Blind prediction challenge, SAMPL, Macroscopic pK(a), Microscopic pK(a), Macroscopic protonation state, Microscopic protonation state, Macroscopic pK a, Microscopic pK a, Spectrophotometric pK a measurement, Theoretical and Computational Chemistry, Medicinal & Biomolecular Chemistry, Medicinal and biomolecular chemistry, Theoretical and computational chemistry

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/9415g5d6

المؤلفون: Taoka, Brandon M., Wu, Wen-Lian, Hao, Jinsong, Dolmaski, Martin, Wang, Hongwu, Levorse, Dorothy, Orth, Peter, Hyde, Lynn A., Smith, Brad, Michener, Maria S., Kennedy, Matthew E., Parker, Eric M., Cumming, Jared N.

المصدر: Bioorganic & Medicinal Chemistry Letters ; volume 56, page 128463 ; ISSN 0960-894X

الاتاحة: http://dx.doi.org/10.1016/j.bmcl.2021.128463
https://api.elsevier.com/content/article/PII:S0960894X21006909?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S0960894X21006909?httpAccept=text/plain

المؤلفون: Ecker, Andrew K., Levorse, Dorothy A., Victor, Daniel A., Mitcheltree, Matthew J.

المساهمون: Merck

المصدر: ACS Medicinal Chemistry Letters ; volume 13, issue 6, page 964-971 ; ISSN 1948-5875 1948-5875

الاتاحة: http://dx.doi.org/10.1021/acsmedchemlett.2c00114
https://pubs.acs.org/doi/pdf/10.1021/acsmedchemlett.2c00114

المؤلفون: Ecker, Andrew, Levorse, Dorothy, Victor, Daniel, Mitcheltree, Matthew

الاتاحة: http://dx.doi.org/10.26434/chemrxiv-2022-0835v
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/62309589202c06be28d49ea5/original/bioisostere-effects-on-the-epsa-of-common-permeability-limiting-groups.pdf

المؤلفون: Jiang, Jinlong, Ding, Fa-Xiang, Zhou, Xiaoyan, Bateman, Thomas J., Dong, Shuzhi, Gu, Xin, Keh deJesus, Reynalda, Pio, Barbara, Tang, Haifeng, Chobanian, Harry R., Levorse, Dorothy, Hu, Mengwei, Thomas-Fowlkes, Brande, Margulis, Michael, Koehler, Martin, Weinglass, Adam, Gibson, Jack, Houle, Kevin, Yudkovitz, Joel, Hampton, Caryn, Pai, Lee-Yuh, Samuel, Koppara, Cutarelli, Timothy, Sullivan, Kathleen, Parmee, Emma R., Davies, Ian, Pasternak, Alexander

المصدر: Journal of Medicinal Chemistry ; volume 64, issue 11, page 7691-7701 ; ISSN 0022-2623 1520-4804

الاتاحة: http://dx.doi.org/10.1021/acs.jmedchem.1c00406
https://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.1c00406

المؤلفون: Işık, Mehtap, Levorse, Dorothy, Mobley, David L., Rhodes, Timothy, Chodera, John D.

المساهمون: National Institute of General Medical Sciences, National Science Foundation

المصدر: Journal of Computer-Aided Molecular Design ; volume 34, issue 4, page 405-420 ; ISSN 0920-654X 1573-4951

الاتاحة: http://dx.doi.org/10.1007/s10822-019-00271-3
http://link.springer.com/content/pdf/10.1007/s10822-019-00271-3.pdf
http://link.springer.com/article/10.1007/s10822-019-00271-3/fulltext.html

المؤلفون: Walsh, Paul L., Stellabott, Joyce, Nofsinger, Rebecca, Xu, Wei, Levorse, Dorothy, Galipeau, Kendra, Kesisoglou, Filippos

المصدر: AAPS PharmSciTech ; volume 18, issue 4, page 1408-1416 ; ISSN 1530-9932

الاتاحة: http://dx.doi.org/10.1208/s12249-016-0611-2
http://link.springer.com/content/pdf/10.1208/s12249-016-0611-2.pdf
http://link.springer.com/article/10.1208/s12249-016-0611-2/fulltext.html

المؤلفون: Edmondson, Scott D., Zhu, Cheng, Kar, Nam Fung, Di Salvo, Jerry, Nagabukuro, Hiroshi, Sacre-Salem, Beatrice, Dingley, Karen, Berger, Richard, Goble, Stephen D., Morriello, Gregori, Harper, Bart, Moyes, Christopher R., Shen, Dong-Ming, Wang, Liping, Ball, Richard, Fitzmaurice, Aileen, Frenkl, Tara, Gichuru, Loise N., Ha, Sookhee, Hurley, Amanda L., Jochnowitz, Nina, Levorse, Dorothy, Mistry, Shruty, Miller, Randy R., Ormes, James, Salituro, Gino M., Sanfiz, Anthony, Stevenson, Andra S., Villa, Katherine, Zamlynny, Beata, Green, Stuart, Struthers, Mary, Weber, Ann E.

المصدر: Journal of Medicinal Chemistry ; volume 59, issue 2, page 609-623 ; ISSN 0022-2623 1520-4804

الاتاحة: http://dx.doi.org/10.1021/acs.jmedchem.5b01372
https://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.5b01372

المؤلفون: Deng, Qiaolin, Lim, Yeon-Hee, Anand, Rajan, Yu, Younong, Kim, Jae-hun, Zhou, Wei, Zheng, Junying, Tempest, Paul, Levorse, Dorothy, Zhang, Xiaoping, Greene, Scott, Mullins, Deborra, Culberson, Chris, Sherborne, Brad, Parker, Eric M., Stamford, Andrew, Ali, Amjad

المصدر: Bioorganic & Medicinal Chemistry Letters ; volume 25, issue 15, page 2958-2962 ; ISSN 0960-894X

الاتاحة: http://dx.doi.org/10.1016/j.bmcl.2015.05.036
https://api.elsevier.com/content/article/PII:S0960894X15004989?httpAccept=text/plain
https://api.elsevier.com/content/article/PII:S0960894X15004989?httpAccept=text/xml

المؤلفون: Işık, Mehtap, Levorse, Dorothy, Rustenburg, Ariën S., Ndukwe, Ikenna E., Wang, Heather, Wang, Xiao, Reibarkh, Mikhail, Martin, Gary E., Makarov, Alexey A., Mobley, David L., Rhodes, Timothy, Chodera, John D.

المصدر: Journal of Computer-Aided Molecular Design; Oct2018, Vol. 32 Issue 10, p1117-1138, 22p

مصطلحات موضوعية: KINASE inhibitors, PROTON transfer reactions, AQUEOUS solutions, NUCLEAR magnetic resonance, PROTEIN binding

المؤلفون: Isabel, Elise, Mellon, Christophe, Boyd, Michael J., Chauret, Nathalie, Deschênes, Denis, Desmarais, Sylvie, Falgueyret, Jean-Pierre, Gauthier, Jacques Yves, Khougaz, Karine, Lau, Cheuk K., Léger, Serge, Levorse, Dorothy A., Li, Chun Sing, Massé, Frédéric, David Percival, M., Roy, Bruno, Scheigetz, John, Thérien, Michel, Truong, Vouy Linh, Wesolowski, Gregg, Young, Robert N., Zamboni, Robert, Cameron Black, W.

المصدر: Bioorganic & Medicinal Chemistry Letters ; volume 21, issue 3, page 920-923 ; ISSN 0960-894X

الاتاحة: http://dx.doi.org/10.1016/j.bmcl.2010.12.070
https://api.elsevier.com/content/article/PII:S0960894X10018342?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S0960894X10018342?httpAccept=text/plain

المؤلفون: Cernak, Timothy, Dykstra, Kevin, Levorse, Dorothy, Verras, Andreas, Balkovec, James, Nargund, Ravi, DeVita, Robert

المصدر: Tetrahedron Letters ; volume 52, issue 48, page 6457-6459 ; ISSN 0040-4039

الاتاحة: http://dx.doi.org/10.1016/j.tetlet.2011.09.100
https://api.elsevier.com/content/article/PII:S0040403911016431?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S0040403911016431?httpAccept=text/plain

المؤلفون: Zhang, Jingtao, Fan, Haihong, Levorse, Dorothy A., Crocker, Louis S.

المصدر: Langmuir ; volume 27, issue 5, page 1907-1914 ; ISSN 0743-7463 1520-5827

الاتاحة: http://dx.doi.org/10.1021/la104590k
https://pubs.acs.org/doi/pdf/10.1021/la104590k

المؤلفون: Zhang, Jingtao, Fan, Haihong, Levorse, Dorothy A., Crocker, Louis S.

المصدر: Langmuir ; volume 27, issue 15, page 9473-9483 ; ISSN 0743-7463 1520-5827

الاتاحة: http://dx.doi.org/10.1021/la201464k
https://pubs.acs.org/doi/pdf/10.1021/la201464k

المؤلفون: Tang, Haifeng, Yan, Yan, Feng, Zhe, de Jesus, Reynalda K., Yang, Lihu, Levorse, Dorothy A., Owens, Karen A., Akiyama, Taro E., Bergeron, Raynald, Castriota, Gino A., Doebber, Thomas W., Ellsworth, Kenneth P., Lassman, Michael E., Li, Cai, Wu, Margaret S., Zhang, Bei B., Chapman, Kevin T., Mills, Sander G., Berger, Joel P., Pasternak, Alexander

المصدر: Bioorganic & Medicinal Chemistry Letters ; volume 20, issue 20, page 6088-6092 ; ISSN 0960-894X

الاتاحة: http://dx.doi.org/10.1016/j.bmcl.2010.08.047
https://api.elsevier.com/content/article/PII:S0960894X10011704?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S0960894X10011704?httpAccept=text/plain

المؤلفون: Gong, Xiaoyi, Figus, Margaret, Plewa, Jolanta, Levorse, Dorothy A., Zhou, Lili, Welch, Christopher J.

المصدر: Chromatographia ; volume 68, issue 3-4, page 219-225 ; ISSN 0009-5893 1612-1112

الاتاحة: http://dx.doi.org/10.1365/s10337-008-0691-6

المؤلفون: Barrow, James C., Stauffer, Shaun R., Rittle, Kenneth E., Ngo, Phung L., Yang, ZhiQiang, Selnick, Harold G., Graham, Samuel L., Munshi, Sanjeev, McGaughey, Georgia B., Holloway, M. Katharine, Simon, Adam J., Price, Eric A., Sankaranarayanan, Sethu, Colussi, Dennis, Tugusheva, Katherine, Lai, Ming-Tain, Espeseth, Amy S., Xu, Min, Huang, Qian, Wolfe, Abigail, Pietrak, Beth, Zuck, Paul, Levorse, Dorothy A., Hazuda, Daria, Vacca, Joseph P.

المصدر: Journal of Medicinal Chemistry ; volume 51, issue 20, page 6259-6262 ; ISSN 0022-2623 1520-4804

الاتاحة: http://dx.doi.org/10.1021/jm800914n
https://pubs.acs.org/doi/pdf/10.1021/jm800914n

المؤلفون: Butora, Gabor, Schmitt, Christoph, Levorse, Dorothy A., Streckfuss, Eric, Doss, George A., MacCoss, Malcolm

المصدر: Tetrahedron ; volume 63, issue 18, page 3782-3789 ; ISSN 0040-4020

الاتاحة: http://dx.doi.org/10.1016/j.tet.2007.02.053
https://api.elsevier.com/content/article/PII:S0040402007002670?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S0040402007002670?httpAccept=text/plain