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Chemistry

Working Paper

Integrated Docking and Enhanced Sampling Based Selection of Repurposing Drugs for SARS-CoV-2 by Targeting Host Dependent Factors

Amit Kumawat, Sadanandam Namsani, Debabrata Pramanik, Sudip Roy, Jayant K. Singh

Version 1 posted 15 December 2020

681

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Chemistry

Working Paper

Computer- and NMR-aided design of small-molecule inhibitors of the Hub1 protein

Ewa Surmiak, Katarzyna Kubica, Atilio Reyes Romero, Jacek Plewka, Ismael Rodriguez, Katarzyna Magiera-Mularz, Alexander Domling, Tad Holak

Version 1 posted 27 January 2022

253

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Chemistry

Working Paper

Automated Design of Macrocycles for Therapeutic Applications: from Small Molecules to Peptides and Proteins

Daniel Sindhikara, Michael Wagner, Paraskevi Gkeka, Stefan Guessregen, Garima Tiwari, Gerhard Hessler, Engin Yapici, Ziyu Li, Andreas Evers

Version 1 posted 13 July 2020

1,123

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Chemistry

Working Paper

Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin

Jakob Leppkes, Nicole Dimos, Bernhard Loll, Thomas Hohmann, Michael Dyrks, Ariane Wieseke, Bettina G. Keller, Beate Koksch

Version 2 posted 05 April 2022

260

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Chemistry

Working Paper

Understanding the role of H-bonds in the stability of molecular glue-induced ternary complexes

Patricia Blanco-Gabella, Varbina Ivanova, Álvaro Serrano-Morrás, Julian E. Fuchs, Jordi Juárez-Jiménez

Version 1 posted 16 June 2025

674

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Chemistry

Working Paper

Tetrazole-containing naphthalene bis-sulfonamide Keap1-Nrf2 interaction inhibitors with unexpected binding modes

Nikolaos D Georgakopoulos, Sandeep K Talapatra, Sharadha Dayalan Naidu, Dina Dikovskaya, Maureen Higgins, Jemma Gatliff, Roxani Nikoloudaki, Marjolein Schaap, Jasmine M Walker, Christopher Wardby, Albena T Dinkova-Kostova, Sarah Harris, Frank Kozielski, Geoff Wells

Version 1 posted 15 May 2025

147

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Chemistry

Working Paper

Towards Identification of Protein-Protein Interaction Stabilizers via Inhibitory Peptide-Fragment Hybrids Using Templated Fragment Ligation

Sonja Srdanovic, Zsofia Hegedus, Stuart Warriner, Wilson Andrew

Version 1 posted 17 January 2022

422

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Chemistry

Working Paper

Rapid Flow-Based Synthesis of Post-Translationally Modified Peptides and Proteins: A Case Study on MYC’s Transactivation Domain

Elyse T. Williams, Kevin Schiefelbein, Matthias Schuster, Ikhlas M. M. Ahmed, Marije De Vries, Rebecca Beveridge, Oliver Zerbe, Nina Hartrampf

Version 1 posted 27 February 2024

525

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Chemistry

Working Paper

OLIVES: A Go-like Model for Stabilizing Protein Structure via Hydrogen Bonding Native Contacts in the Martini 3 Coarse-Grained Force Field

Kasper B. Pedersen, Luís Borges-Araújo, Amanda D. Stange, Paulo C. T. Souza, Siewert-Jan Marrink, Birgit Schiøtt

Version 1 posted 17 November 2023

989

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Chemistry

Working Paper

Constrained TACC3 peptidomimetics for a non-canonical protein-protein interface elucidate allosteric communication in Aurora-A Kinase

Diana Gimenez, Martin Walko, Jennifer Miles, Megan Wright, Richard Bayliss, Wilson Andrew

Version 1 posted 09 September 2024

226

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Refine Search

38 results in Protein-Protein Interactions in Keywords: Protein-Protein Interactions

Integrated Docking and Enhanced Sampling Based Selection of Repurposing Drugs for SARS-CoV-2 by Targeting Host Dependent Factors

Computer- and NMR-aided design of small-molecule inhibitors of the Hub1 protein

Automated Design of Macrocycles for Therapeutic Applications: from Small Molecules to Peptides and Proteins

Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin

Understanding the role of H-bonds in the stability of molecular glue-induced ternary complexes

Tetrazole-containing naphthalene bis-sulfonamide Keap1-Nrf2 interaction inhibitors with unexpected binding modes

Towards Identification of Protein-Protein Interaction Stabilizers via Inhibitory Peptide-Fragment Hybrids Using Templated Fragment Ligation

Rapid Flow-Based Synthesis of Post-Translationally Modified Peptides and Proteins: A Case Study on MYC’s Transactivation Domain

OLIVES: A Go-like Model for Stabilizing Protein Structure via Hydrogen Bonding Native Contacts in the Martini 3 Coarse-Grained Force Field

Constrained TACC3 peptidomimetics for a non-canonical protein-protein interface elucidate allosteric communication in Aurora-A Kinase

38 results in Keywords: Protein-Protein Interactions