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PPI-Affinity: A Web Tool for the Prediction and Optimization of Protein–Peptide and Protein–Protein Binding Affinity

Romero-Molina S., Ruiz-Blanco Y. B., Mieres-Perez J., Harms M., Münch J., Ehrmann M., and Sanchez-Garcia E.*
Journal of Proteome Research. 2022;21(8):1829–1841. DOI:10.1021/acs.jproteome.2c00020

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Dimerization of the Peptide CXCR4-Antagonist on Macromolecular and Supramolecular Protraction Arms Affords Increased Potency and Enhanced Plasma Stability

Harms M, Fabech-Hansson R, Carmali S, Almeida-Hernández Y, Sanchez-Garcia E, Münch J*, Zelikin* A. N.
Bioconjugate Chemistry. 2022; 33(4): 594–607. DOI:10.1021/acs.bioconjchem.2c00034

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Controlling Reactivity—Real-Space Imaging of a Surface Metal Carbene

Mieres-Perez J, Lucht K, Trosien I, Sander W*, Sanchez-Garcia E*, Morgenstern K*
Journal of the American Chemical Society. 2021; 143(12):4653–4660. DOI:10.1021/jacs.0c12995

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Heavy‐Atom Tunneling in Semibullvalenes: How Driving Force, Substituents, and Environment Influence the Tunneling Rates

Schleif T, Tatchen J, Rowen J F, Beyer F, Sanchez‐Garcia E*, Sander*
Chemistry -A European Journal. 2020. DOI:10.1002/chem.202001202

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How Protic Solvents Determine the Reaction Mechanisms of Diphenylcarbene in Solution.

Knorr J, Sokkar P, Costa P, Sander W, Sanchez-Garcia E*, Nuernberger P*
J Org Chem. 2019 Sep 20;84(18):11450-11457.

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Solvent-Enhanced Conformational Flexibility of Cyclic Tetrapeptides.

Berger N, Wollny LJB, Sokkar P, Mittal S, Mieres-Perez J, Stoll R, Sander W, Sanchez-Garcia E.
Chemphyschem. 2019 Jul 2;20(13):1664-1670.

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Gas-Phase Deprotonation of Benzhydryl Cations: Carbene Basicity, Multiplicity, and Rearrangements.

Xu J, Mieres-Perez J, Sanchez-Garcia E, Lee JK.
J Org Chem. 2019 Jun 21;84(12):7685-7693.

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PPI‐Detect: A support vector machine model for sequence‐based prediction of protein–protein interactions.

Romero-Molina S, Ruiz-Blanco YB, Harms M, Münch J, Sanchez-Garcia E.
J Comput Chem. 2019 Apr 30;40(11):1233-1242.

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The Interaction Modes of Haloimidazolium Salts in Solution.

Schulz N, Sokkar P, Engelage E, Schindler S, Erdelyi M, Sanchez-Garcia E, Huber SM.
Chemistry. 2018 Mar 7;24(14):3464-3473.

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Substrate Flexibility of a Mutated Acyltransferase Domain and Implications for Polyketide Biosynthesis.

Bravo-Rodriguez K, Klopries S, Koopmans KRM, Sundermann U, Yahiaoui S, Arens J, Kushnir S, Schulz F, Sanchez-Garcia E.
Chem Biol. 2015 Nov 19 ;22(11):1425-1430.

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Molecular tweezers inhibit islet amyloid polypeptide assembly and toxicity by a new mechanism.

Lopes DH, Attar A, Nair G, Hayden EY, Du Z, McDaniel K, Dutt S, Bravo-Rodriguez K, Mittal S, Klärner FG, Wang C, Sanchez-Garcia E, Schrader T, Bitan G.
ACS Chem Biol. 2015 Jun 19;10(6):1555-69.

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Hybrid Quantum Mechanics/Molecular Mechanics/Coarse Grained Modeling: A Triple-Resolution Approach for Biomolecular Systems.

Sokkar P, Boulanger E, Thiel W, Sanchez-Garcia E.
J Chem Theory Comput. 2015 Apr 14;11(4):1809-18.

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The fluorenyl cation.

Costa P, Trosien I, Fernandez-Oliva M, Sanchez-Garcia E, Sander W.
Angew Chem Int Ed Engl. 2015 Feb 23;54(9):2656-60.

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The highly reactive benzhydryl cation isolated and stabilized in water ice.

Costa P, Fernandez-Oliva M, Sanchez-Garcia E, Sander W.
J Am Chem Soc. 2014 Nov 5;136(44):15625-30.

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Photochemistry and reactivity of the phenyl radical-water system: a matrix isolation and computational study.

Mardyukov A, Crespo-Otero R, Sanchez-Garcia E, Sander W.
Chemistry. 2010 Aug 2;16(29):8679-89.