Sampling alternative conformational states of transporters and receptors with AlphaFold2 D Del Alamo, D Sala, HS Mchaourab, J Meiler Elife 11, e75751, 2022 | 338 | 2022 |
Modeling immunity with Rosetta: methods for antibody and antigen design CT Schoeder, S Schmitz, J Adolf-Bryfogle, AM Sevy, JA Finn, MF Sauer, ... Biochemistry 60 (11), 825-846, 2021 | 49 | 2021 |
AlphaFold2 predicts the inward‐facing conformation of the multidrug transporter LmrP D Del Alamo, C Govaerts, HS Mchaourab Proteins: Structure, Function, and Bioinformatics 89 (9), 1226-1228, 2021 | 36 | 2021 |
A method for quantification of exportin-1 (XPO1) occupancy by Selective Inhibitor of Nuclear Export (SINE) compounds ML Crochiere, E Baloglu, B Klebanov, S Donovan, D Del Alamo, M Lee, ... Oncotarget 7 (2), 1863, 2015 | 35 | 2015 |
Integrated AlphaFold2 and DEER investigation of the conformational dynamics of a pH-dependent APC antiporter D Del Alamo, L DeSousa, RM Nair, S Rahman, J Meiler, HS Mchaourab Proceedings of the National Academy of Sciences 119 (34), e2206129119, 2022 | 29 | 2022 |
Rapid simulation of unprocessed DEER decay data for protein fold prediction D Del Alamo, MH Tessmer, RA Stein, JB Feix, HS Mchaourab, J Meiler Biophysical Journal 118 (2), 366-375, 2020 | 26 | 2020 |
Principles of alternating access in LeuT-fold transporters: commonalities and divergences D Del Alamo, J Meiler, HS Mchaourab Journal of Molecular Biology 434 (19), 167746, 2022 | 25 | 2022 |
Modeling of protein conformational changes with Rosetta guided by limited experimental data D Sala, D Del Alamo, HS Mchaourab, J Meiler Structure 30 (8), 1157-1168. e3, 2022 | 22 | 2022 |
Methodology for rigorous modeling of protein conformational changes by Rosetta using DEER distance restraints D Del Alamo, KL Jagessar, J Meiler, HS Mchaourab PLOS Computational Biology 17 (6), e1009107, 2021 | 21 | 2021 |
Characterization of the ExoU activation mechanism using EPR and integrative modeling MH Tessmer, SA DeCero, D Del Alamo, MO Riegert, J Meiler, DW Frank, ... Scientific Reports 10 (1), 19700, 2020 | 17 | 2020 |
Artificial intelligence drives the digital transformation of pharma S Harrer, J Menard, M Rivers, DVS Green, J Karpiak, JR Jeliazkov, ... Artificial intelligence in clinical practice, 345-372, 2024 | 11 | 2024 |
ESMFold hallucinates native-like protein sequences JR Jeliazkov, D del Alamo, JD Karpiak bioRxiv, 2023.05. 23.541774, 2023 | 11 | 2023 |
Selective inhibitors of nuclear export (SINETM) block the expression of DNA damage repair proteins and sensitize cancer cells to DNA damage inducing therapeutic agents T Kashyap, ML Crochiere, S Friedlander, B Klebanov, W Senapedis, ... Proceedings of the 26th EORTC-NCI-AACR Symposium on Molecular Targets and …, 2014 | 4 | 2014 |
Selinexor (KPT-330), a novel selective inhibitor of nuclear export (SINE), shows single agent efficacy against alveolar soft part sarcoma (ASPS) in vivo ML Crochiere, T Kashyap, B Klebanov, W Senapedis, D del Alamo, ... Cancer Res 74 (19), 3810-3810, 2014 | 4 | 2014 |
Efficient sampling of protein loop regions using conformational hashing complemented with random coordinate descent D Del Alamo, AW Fischer, R Moretti, NS Alexander, J Mendenhall, ... Journal of Chemical Theory and Computation 17 (1), 560-570, 2020 | 3 | 2020 |
492 Quantification of exportin-1 (XPO1) occupancy by selective inhibitors of nuclear export (SINE) M Crochiere, B Klebanov, E Baloglu, O Kalid, T Kashyap, W Senapedis, ... European Journal of Cancer 50, 160, 2014 | 1 | 2014 |
Abstract B198: Selinexor (KPT-330), a novel Selective Inhibitor of Nuclear Export (SINE) shows marked NF-kB inhibition and significant anticancer activity against Non-Small … W Senapedis, M Crochiere, T Rashal, T Kashyap, B Klebanov, ... Molecular Cancer Therapeutics 12 (11_Supplement), B198-B198, 2013 | 1 | 2013 |
Conformational sampling and interpolation using language-based protein folding neural networks D del Alamo, JR Jeliazkov, D Truan, JD Karpiak bioRxiv, 2023.12. 16.571997, 2023 | | 2023 |
Integrative modeling of secondary active transporters D del Alamo | | 2021 |
In Vitro and in Vivo Quantification of Exportin-1 (XPO1) Occupancy By the Oral Selective Inhibitor of Nuclear Export (SINE) Selinexor in Multiple Myeloma, Acute Myeloid … M Crochiere, B Klebanov, E Baloglu, O Kalid, T Kashyap, W Senapedis, ... Blood 124 (21), 5196, 2014 | | 2014 |