When are two hydrogen bonds better than one? Accurate first-principles models explain the balance of hydrogen bond donors and acceptors found in proteins
Vennelakanti, Vyshnavi, Qi, Helena W, Mehmood, Rimsha, Kulik, Heather J
Published in Chemical science (Cambridge) (21.01.2021)
Published in Chemical science (Cambridge) (21.01.2021)
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Journal Article
When are two hydrogen bonds better than one? Accurate first-principles models explain the balance of hydrogen bond donors and acceptors found in proteins
Vennelakanti, Vyshnavi, Qi, Helena W., Mehmood, Rimsha, Kulik, Heather J.
Published in Chemical science (Cambridge) (01.01.2021)
Get full text
Published in Chemical science (Cambridge) (01.01.2021)
Journal Article
Biochemical and crystallographic investigations into isonitrile formation by a nonheme iron-dependent oxidase/decarboxylase
Jonnalagadda, Rohan, Del Rio Flores, Antonio, Cai, Wenlong, Mehmood, Rimsha, Narayanamoorthy, Maanasa, Ren, Chaoxiang, Zaragoza, Jan Paulo T., Kulik, Heather J., Zhang, Wenjun, Drennan, Catherine L.
Published in The Journal of biological chemistry (01.01.2021)
Published in The Journal of biological chemistry (01.01.2021)
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Journal Article
Biochemical and crystallographic investigations into isonitrile formation by a non-heme iron-dependent oxidase/decarboxylase
Jonnalagadda, Rohan, Del Rio Flores, Antonio, Cai, Wenlong, Mehmood, Rimsha, Narayanamoorthy, Maanasa, Ren, Chaoxiang, Zaragoza, Jan T., Kulik, Heather J., Zhang, Wenjun, Drennan, Catherine L.
Published in The Journal of biological chemistry (01.01.2021)
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Published in The Journal of biological chemistry (01.01.2021)
Journal Article
Design and Optimization of Selectivity-Tunable Toll-like Receptor 7/8 Agonists as Novel Antibody-Drug Conjugate Payloads
Patel, Akash M, Willingham, Aarron, Cheng, Alan C, Tomazela, Daniela, Bowman, Eddie, Kofman, Esther, Zhang, Fan, Bao, Jianming, Sanzone, Jillian R, Choy, Jonathan W, Flygare, John A, Han, Jin-Hwan, Pradhan, Komal, Kieffer, Madeleine, Chernyak, Natalia, Akbari, Peyman, Liu, Ping, Mehmood, Rimsha, Naravula, Saraswathi, Hollingsworth, Scott A, Bhagwat, Bhagyashree, Lang, Simon B, Seganish, W Michael
Published in Journal of medicinal chemistry (12.09.2024)
Published in Journal of medicinal chemistry (12.09.2024)
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Harder, better, faster, stronger: large-scale QM and QM/MM for predictive modeling in enzymes and proteins
Vennelakanti, Vyshnavi, Nazemi, Azadeh, Mehmood, Rimsha, Steeves, Adam H, Kulik, Heather J
Year of Publication 26.05.2021
Year of Publication 26.05.2021
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Revealing quantum mechanical effects in enzyme catalysis with large-scale electronic structure simulationElectronic supplementary information (ESI) available. See DOI: 10.1039/c8re00213d
Yang, Zhongyue, Mehmood, Rimsha, Wang, Mengyi, Qi, Helena W, Steeves, Adam H, Kulik, Heather J
Year of Publication 04.02.2019
Year of Publication 04.02.2019
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Journal Article