Assessing the accuracy of octanol–water partition coefficient predictions in the SAMPL6 Part II log P Challenge
Işık, Mehtap, Bergazin, Teresa Danielle, Fox, Thomas, Rizzi, Andrea, Chodera, John D., Mobley, David L.
Published in Journal of computer-aided molecular design (01.04.2020)
Published in Journal of computer-aided molecular design (01.04.2020)
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Journal Article
Overview of the SAMPL6 pKa challenge: evaluating small molecule microscopic and macroscopic pKa predictions
Işık, Mehtap, Rustenburg, Ariën S., Rizzi, Andrea, Gunner, M. R., Mobley, David L., Chodera, John D.
Published in Journal of computer-aided molecular design (01.02.2021)
Published in Journal of computer-aided molecular design (01.02.2021)
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Journal Article
Quantitative self-assembly prediction yields targeted nanomedicines
Shamay, Yosi, Shah, Janki, Işık, Mehtap, Mizrachi, Aviram, Leibold, Josef, Tschaharganeh, Darjus F, Roxbury, Daniel, Budhathoki-Uprety, Januka, Nawaly, Karla, Sugarman, James L, Baut, Emily, Neiman, Michelle R, Dacek, Megan, Ganesh, Kripa S, Johnson, Darren C, Sridharan, Ramya, Chu, Karen L, Rajasekhar, Vinagolu K, Lowe, Scott W, Chodera, John D, Heller, Daniel A
Published in Nature materials (01.04.2018)
Published in Nature materials (01.04.2018)
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Journal Article
An Open Library of Human Kinase Domain Constructs for Automated Bacterial Expression
Albanese, Steven K, Parton, Daniel L, Işık, Mehtap, Rodríguez-Laureano, Lucelenie, Hanson, Sonya M, Behr, Julie M, Gradia, Scott, Jeans, Chris, Levinson, Nicholas M, Seeliger, Markus A, Chodera, John D
Published in Biochemistry (Easton) (07.08.2018)
Published in Biochemistry (Easton) (07.08.2018)
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Journal Article
SAMPL7 protein-ligand challenge: A community-wide evaluation of computational methods against fragment screening and pose-prediction
Grosjean, Harold, Işık, Mehtap, Aimon, Anthony, Mobley, David, Chodera, John, von Delft, Frank, Biggin, Philip C
Published in Journal of computer-aided molecular design (01.04.2022)
Published in Journal of computer-aided molecular design (01.04.2022)
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Journal Article
Automated high throughput pKa and distribution coefficient measurements of pharmaceutical compounds for the SAMPL8 blind prediction challenge
Bahr, Matthew N., Nandkeolyar, Aakankschit, Kenna, John K., Nevins, Neysa, Da Vià, Luigi, Işık, Mehtap, Chodera, John D., Mobley, David L.
Published in Journal of computer-aided molecular design (01.11.2021)
Published in Journal of computer-aided molecular design (01.11.2021)
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Journal Article
pK a measurements for the SAMPL6 prediction challenge for a set of kinase inhibitor-like fragments
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
Published in Journal of computer-aided molecular design (01.10.2018)
Published in Journal of computer-aided molecular design (01.10.2018)
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Journal Article
Overview of the SAMPL6 pK a challenge: evaluating small molecule microscopic and macroscopic pK a predictions
Işık, Mehtap, Rustenburg, Ariën S, Rizzi, Andrea, Gunner, M R, Mobley, David L, Chodera, John D
Published in Journal of computer-aided molecular design (01.02.2021)
Published in Journal of computer-aided molecular design (01.02.2021)
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Journal Article
pKa measurements for the SAMPL6 prediction challenge for a set of kinase inhibitor-like fragments
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.
Published in Journal of computer-aided molecular design (01.10.2018)
Published in Journal of computer-aided molecular design (01.10.2018)
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Journal Article
Automated high throughput pK a and distribution coefficient measurements of pharmaceutical compounds for the SAMPL8 blind prediction challenge
Bahr, Matthew N, Nandkeolyar, Aakankschit, Kenna, John K, Nevins, Neysa, Da Vià, Luigi, Işık, Mehtap, Chodera, John D, Mobley, David L
Published in Journal of computer-aided molecular design (01.11.2021)
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Published in Journal of computer-aided molecular design (01.11.2021)
Journal Article
Providing climate change resilient land-use transport projects with green finance using Z extended numbers based decision-making model
Haseli, Gholamreza, Deveci, Muhammet, Isik, Mehtap, Gokasar, Ilgin, Pamucar, Dragan, Hajiaghaei-Keshteli, Mostafa
Published in Expert systems with applications (01.06.2024)
Published in Expert systems with applications (01.06.2024)
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Journal Article
Interactions between ionizable amino lipids and a short RNA hairpin: Insights from molecular dynamics simulations for lipid nanoparticle optimization
Poruthoor, Ashlin James, Dehghanighahnaviyeh, Sepehr, Bali, Semiha Kevser, Isik, Mehtap, Sur, Sreyoshi
Published in Biophysical journal (08.02.2024)
Published in Biophysical journal (08.02.2024)
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Journal Article
Evaluation of the alternatives of introducing electric vehicles in developing countries using Type-2 neutrosophic numbers based RAFSI model
Gokasar, Ilgin, Deveci, Muhammet, Isik, Mehtap, Daim, Tugrul, Zaidan, Aws A., Smarandache, Florentin
Published in Technological forecasting & social change (01.07.2023)
Published in Technological forecasting & social change (01.07.2023)
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Journal Article
Aircraft type selection using fuzzy trigonometric based OPA and RAFSI model
Deveci, Muhammet, Çiftçi, Muharrem Enis, Isik, Mehtap, Pamucar, Dragan, Wen, Xin, Chin, Tachia, Kadry, Seifedine
Published in Information sciences (01.07.2024)
Published in Information sciences (01.07.2024)
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Journal Article