Studying enzyme-substrate specificity in silico: A case study of the E. coli glycolysis pathway

द्वारा Kalyanaraman, Chakrapani, Jacobson, Matthew P.
प्रकाशित 2010

Leveraging structure for enzyme function prediction: methods, opportunities and challenges

द्वारा Jacobson, Matthew P., Kalyanaraman, Chakrapani, Zhao, Suwen, Tian, Boxue
प्रकाशित 2014

Automated Site Preparation in Physics-Based Rescoring of Receptor Ligand Complexes

द्वारा Rapp, Chaya S., Schonbrun, Cheryl, Jacobson, Matthew P., Kalyanaraman, Chakrapani, Huang, Niu
प्रकाशित 2009

A Molecular Mechanics Approach to Modeling Protein-Ligand Interactions: Relative Binding Affinities in Congeneric Series

द्वारा Rapp, Chaya S., Kalyanaraman, Chakrapani, Schiffmiller, Aviva, Schoenbrun, Esther Leah, Jacobson, Matthew P.
प्रकाशित 2011

Predicting Enzyme-Substrate Specificity with QM/MM Methods: A Case Study of the Stereo-specificity of D-glucarate Dehydratase

द्वारा Tian, Boxue, Wallrapp, Frank, Kalyanaraman, Chakrapani, Zhao, Suwen, Eriksson, Leif A., Jacobson, Matthew P.
प्रकाशित 2013

HUMAN 15-LOX-1 ACTIVE SITE MUTATIONS ALTER INHIBITOR BINDING AND DECREASE POTENCY

द्वारा Armstrong, Michelle, van Hoorebeke, Christopher, Horn, Thomas, Deschamps, Joshua, Freedman, J. Cody, Kalyanaraman, Chakrapani, Jacobson, Matthew P., Holman, Theodore
में प्रकाशित Bioorg Med Chem (2016)

Probing the Electrostatic and Steric Requirements for Substrate Binding in Human Platelet-type 12-Lipoxygenase

द्वारा Aleem, Ansari Mukhtar, Tsai, Wan-Chen, Tena, Jennyfer, Alvarez, Gabriella, Deschamps, Joshua, Kalyanaraman, Chakrapani, Jacobson, Matthew P., Holman, Theodore
में प्रकाशित Biochemistry (2019)

Biosynthesis of the Maresin Intermediate, 13S,14S-Epoxy-DHA, by Human 15-Lipoxygenase and 12-Lipoxygenase and Its Regulation through Negative Allosteric Modulators

द्वारा Freedman, Cody, Tran, Adrianne, Tourdot, Benjamin E., Kalyanaraman, Chakrapani, Perry, Steve, Holinstat, Michael, Jacobson, Matthew P., Holman, Theodore R.
में प्रकाशित Biochemistry (2020)

Evolution of Enzymatic Activities in the Enolase Superfamily: Galactarate Dehydratase III from Agrobacterium tumefaciens C58

द्वारा Groninger-Poe, Fiona P., Bouvier, Jason T., Vetting, Matthew W., Kalyanaraman, Chakrapani, Kumar, Ritesh, Almo, Steven C., Jacobson, Matthew P., Gerlt, John A.
प्रकाशित 2014

A High Throughput Screen Identifies Potent and Selective Inhibitors to Human Epithelial 15-Lipoxygenase-2

द्वारा Jameson, J. Brian, Kantz, Auric, Schultz, Lena, Kalyanaraman, Chakrapani, Jacobson, Matthew P., Maloney, David J., Jadhav, Ajit, Simeonov, Anton, Holman, Theodore R.
प्रकाशित 2014

Inhibitor binding mode and allosteric regulation of Na(+)-glucose symporters

द्वारा Bisignano, Paola, Ghezzi, Chiara, Jo, Hyunil, Polizzi, Nicholas F., Althoff, Thorsten, Kalyanaraman, Chakrapani, Friemann, Rosmarie, Jacobson, Matthew P., Wright, Ernest M., Grabe, Michael
में प्रकाशित Nat Commun (2018)

15-Lipoxygenase-1 biosynthesis of 7S,14S-diHDHA implicates 15-lipoxygenase-2 in biosynthesis of resolvin D5

द्वारा Perry, Steven C., Kalyanaraman, Chakrapani, Tourdot, Benjamin E., Conrad, William S., Akinkugbe, Oluwayomi, Freedman, John Cody, Holinstat, Michael, Jacobson, Matthew P., Holman, Theodore R.
में प्रकाशित J Lipid Res (2020)

Role of Human 15-Lipoxygenase-2 in the Biosynthesis of the Lipoxin Intermediate, 5S,15S-diHpETE, Implicated with the Altered Positional Specificity of Human 15-Lipoxygenase-1

द्वारा Perry, Steven C., Horn, Thomas, Tourdot, Benjamin E., Yamaguchi, Adriana, Kalyanaraman, Chakrapani, Conrad, William S., Akinkugbe, Oluwayomi, Holinstat, Michael, Jacobson, Matthew P., Holman, Theodore R.
में प्रकाशित Biochemistry (2020)

Discovery of a Dipeptide Epimerase Enzymatic Function Guided by Homology Modeling and Virtual Screening

द्वारा Kalyanaraman, Chakrapani, Imker, Heidi J., Fedorov, Alexander A., Fedorov, Elena V., Glasner, Margaret E., Babbitt, Patricia C., Almo, Steven C., Gerlt, John A., Jacobson, Matthew P.
प्रकाशित 2008

A POTENT AND SELECTIVE INHIBITOR TARGETING HUMAN AND MURINE 12/15-LOX

द्वारा Armstrong, Michelle M., Freedman, Cody J., Jung, Joo Eun, Zheng, Yi, Kalyanaraman, Chakrapani, Jacobson, Matthew P., Simeonov, Anton, Maloney, David J., van Leyen, Klaus, Jadhav, Ajit, Holman, Theodore R.
में प्रकाशित Bioorg Med Chem (2016)

Prediction of Substrates for Glutathione Transferases by Covalent Docking

द्वारा Dong, Guang Qiang, Calhoun, Sara, Fan, Hao, Kalyanaraman, Chakrapani, Branch, Megan C., Mashiyama, Susan T., London, Nir, Jacobson, Matthew P., Babbitt, Patricia C., Shoichet, Brian K., Armstrong, Richard N., Sali, Andrej
प्रकाशित 2014

High-throughput screen for inhibitors of protein–protein interactions in a reconstituted heat shock protein 70 (Hsp70) complex

द्वारा Taylor, Isabelle R., Dunyak, Bryan M., Komiyama, Tomoko, Shao, Hao, Ran, Xu, Assimon, Victoria A., Kalyanaraman, Chakrapani, Rauch, Jennifer N., Jacobson, Matthew P., Zuiderweg, Erik R. P., Gestwicki, Jason E.
में प्रकाशित J Biol Chem (2018)

Structure-guided discovery of carboxy-SAM as a novel metabolite modulating tRNA function

द्वारा Kim, Jungwook, Xiao, Hui, Bonanno, Jeffrey B., Kalyanaraman, Chakrapani, Brown, Shoshana, Tang, Xiangying, Al-Obaidi, Nawar F., Patskovsky, Yury, Babbitt, Patricia C., Jacobson, Matthew P., Lee, Young-Sam, Almo, Steven C.
प्रकाशित 2013

GluA1 signal peptide determines the spatial assembly of heteromeric AMPA receptors

द्वारा He, Xue-Yan, Li, Yan-Jun, Kalyanaraman, Chakrapani, Qiu, Li-Li, Chen, Chen, Xiao, Qi, Liu, Wen-Xue, Zhang, Wei, Yang, Jian-Jun, Chen, Guiquan, Jacobson, Matthew P., Shi, Yun Stone
में प्रकाशित Proc Natl Acad Sci U S A (2016)

Exploration of Benzothiazole-Rhodacyanines as Allosteric Inhibitors of Protein-Protein Interactions with Heat Shock Protein 70 (Hsp70)

द्वारा Shao, Hao, Li, Xiaokai, Moses, Michael A., Gilbert, Luke A., Kalyanaraman, Chakrapani, Young, Zapporah T., Chernova, Margarita, Journey, Sara N., Weissman, Jonathan S., Hann, Byron, Jacobson, Matthew P., Neckers, Len, Gestwicki, Jason E.
में प्रकाशित J Med Chem (2018)