Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms von Mealka, Matthew, Sierra, Nicole A., Avellaneda Matteo, Diego, Albekioni, Elene, Khoury, Rachel, Mai, Timothy, Conley, Brittany M., Coleman, Nalani J., Sabo, Kaitlyn A., Komives, Elizabeth A., Bobkov, Andrey A., Cooksy, Andrew L., Silletti, Steve, Schiffer, Jamie M., Huxford, Tom, Sohl, Christal D.

Volltext

Mechanisms for Benzene Dissociation through the Excited State of T4 Lysozyme L99A Mutant von Feher, Victoria A., Schiffer, Jamie M., Mermelstein, Daniel J., Mih, Nathan, Pierce, Levi C.T., McCammon, J. Andrew, Amaro, Rommie E.

Volltext

Capturing Invisible Motions in the Transition from Ground to Rare Excited States of T4 Lysozyme L99A von Schiffer, Jamie M., Feher, Victoria A., Malmstrom, Robert D., Sida, Roxana, Amaro, Rommie E.

Volltext

Factors controlling the transfer of biogenic organic species from seawater to sea spray aerosol von Santander, Mitchell V., Schiffer, Jamie M., Lee, Christopher, Axson, Jessica L., Tauber, Michael J., Prather, Kimberly A.

Volltext

Sea Spray Aerosol: Where Marine Biology Meets Atmospheric Chemistry von Schiffer, Jamie M, Mael, Liora E, Prather, Kimberly A, Amaro, Rommie E, Grassian, Vicki H

Volltext

Model of the Ankyrin and SOCS Box Protein, ASB9, E3 Ligase Reveals a Mechanism for Dynamic Ubiquitin Transfer von Schiffer, Jamie M., Malmstrom, Robert D., Parnell, Jonathan, Ramirez-Sarmiento, Cesar, Reyes, Javiera, Amaro, Rommie E., Komives, Elizabeth A.

Volltext

Input Pose is Key to Performance of Free Energy Perturbation: Benchmarking with Monoacylglycerol Lipase von Ohadi, Donya, Kumar, Kiran, Ravula, Suchitra, DesJarlais, Renee L., Seierstad, Mark J., Shih, Amy Y., Hack, Michael D., Schiffer, Jamie M.

Volltext

Improving the Efficiency of Ligand-Binding Protein Design with Molecular Dynamics Simulations von Barros, Emilia P, Schiffer, Jamie M, Vorobieva, Anastassia, Dou, Jiayi, Baker, David, Amaro, Rommie E

Volltext

Microplastics Outreach Program: A Systems-Thinking Approach To Teach High School Students about the Chemistry and Impacts of Plastics von Schiffer, Jamie M, Lyman, Johnnie, Byrd, Debra, Silverstein, Hercules, Halls, Mathew D

Volltext

Conformational communication mediates the reset step in t6A biosynthesis von Luthra, Amit, Paranagama, Naduni, Swinehart, William, Bayooz, Susan, Phan, Phuc, Quach, Vanessa, Schiffer, Jamie M, Stec, Boguslaw, Iwata-Reuyl, Dirk, Swairjo, Manal A

Volltext

Cation-Driven Lipopolysaccharide Morphological Changes Impact Heterogeneous Reactions of Nitric Acid with Sea Spray Aerosol Particles von Lee, Christopher, Dommer, Abigail C, Schiffer, Jamie M, Amaro, Rommie E, Grassian, Vicki H, Prather, Kimberly A

Volltext

Surfactant Charge Modulates Structure and Stability of Lipase-Embedded Monolayers at Marine-Relevant Aerosol Surfaces von Luo, Man, Dommer, Abigail C, Schiffer, Jamie M, Rez, Donald J, Mitchell, Andrew R, Amaro, Rommie E, Grassian, Vicki H

Volltext

Water Networks and Correlated Motions in Mutant Isocitrate Dehydrogenase 1 (IDH1) Are Critical for Allosteric Inhibitor Binding and Activity von Chambers, Jennifer M, Miller, Wade, Quichocho, Giovanni, Upadhye, Viraj, Matteo, Diego Avellaneda, Bobkov, Andrey A, Sohl, Christal D, Schiffer, Jamie M

Volltext

Protein Cofactors Are Essential for High-Affinity DNA Binding by the Nuclear Factor κB RelA Subunit von Mulero, Maria Carmen, Shahabi, Shandy, Ko, Myung Soo, Schiffer, Jamie M, Huang, De-Bin, Wang, Vivien Ya-Fan, Amaro, Rommie E, Huxford, Tom, Ghosh, Gourisankar

Volltext

An acidic residue buried in the dimer interface of isocitrate dehydrogenase 1 (IDH1) helps regulate catalysis and pH sensitivity von Luna, Lucas A, Lesecq, Zachary, White, Katharine A, Hoang, An, Scott, David A, Zagnitko, Olga, Bobkov, Andrey A, Barber, Diane L, Schiffer, Jamie M, Isom, Daniel G, Sohl, Christal D

Volltext

Breaking the Glass Ceiling in Simulation and Modeling: Women in Pharmaceutical Discovery von Damm-Ganamet, Kelly L, DesJarlais, Renee L, Marrone, Tami, Shih, Amy Y, Schiffer, Jamie M, Perez-Benito, Laura, Mirzadegan, Taraneh

Volltext

Improving the Efficiency of Ligand-Binding Protein Design with Molecular Dynamics von Pecora de Barros, Emilia, Schiffer, Jamie M, Vorobieva, Anastassia, Dou, Jiayi, Baker, David, Amaro, Rommie E

Volltext

Breaking the Glass Ceiling in Simulation and Modeling: Women in Pharmaceutical Discovery: Miniperspective von Damm-Ganamet, Kelly L, DesJarlais, Renee L, Marrone, Tami, Shih, Amy Y, Schiffer, Jamie M, Perez-Benito, Laura, Mirzadegan, Taraneh

Volltext

Inhibitor potency varies widely among tumor-relevant human isocitrate dehydrogenase 1 mutants von Avellaneda Matteo, Diego, Wells, Grace A, Luna, Lucas A, Grunseth, Adam J, Zagnitko, Olga, Scott, David A, Hoang, An, Luthra, Amit, Swairjo, Manal A, Schiffer, Jamie M, Sohl, Christal D

Volltext

The Catalytic Features of IDH1 Mutations Can Drive Neomorphic Activity, Phenotype Severity, and Inhibitor Binding von Sohl, Christal D., Matteo, Diego Avellaneda, Wells, Grace, Luna, Lucas, Upadhye, Viraj, Quichocho, Giovanni, Chambers, Jennifer M., Miller, Wade, Scott, David, Schiffer, Jamie M.

Volltext