Loschmidt Laboratories

Articles

• Acridine-Based Chalcone 1C and ABC Transporters

  FRANKO Ondrej CIZMARIKOVA Martina KELLO Martin MICHALKOVA Radka WESOLOWSKA Olga SRODA-POMIANEK Kamila MARQUES Sérgio Manuel BEDNÁŘ David HAZIKOVA Viktoria LISKA Tomas Jan HABALOVA Viera

  Article in Periodical

  International Journal of Molecular Sciences, year: 2025, volume: 26, edition: 9, DOI

• Anticipating protein evolution with successor sequence predictor

  KHAN Rayyan Tariq KOHOUT Pavel MUSIL Miloš ROSINSKA Monika DAMBORSKÝ Jiří MAZURENKO Stanislav BEDNÁŘ David

  Article in Periodical

  Journal of Cheminformatics, year: 2025, volume: 17, edition: 1, DOI

• Automated Engineering Protein Dynamics via Loop Grafting: Improving Renilla Luciferase Catalysis

  PLANAS IGLESIAS Joan MAJEROVÁ Marika PLUSKAL Daniel VAŠINA Michal DAMBORSKÝ Jiří PROKOP Zbyněk MAREK Martin BEDNÁŘ David

  Article in Periodical

  ACS Catalysis, year: 2025, volume: 15, edition: 4, DOI

• Biochemical and Computational Characterization of Haloalkane Dehalogenase Variants Designed by Generative AI: Accelerating the SN2 Step

  GELFAND Natalia OREL Vojtěch CUI Wenqiang DAMBORSKÝ Jiří LI Chenglong PROKOP Zbyněk XIE Wen Jun WARSHEL Arieh

  Article in Periodical

  Journal of the American Chemical Society, year: 2025, volume: 147, edition: 3, DOI

• Discovery of new inhibitors of nuclease MRE11

  NIKULENKOV Fedor CARBAIN Benoit Jean-Pierre BISWAS Raktim HAVEL Štěpán PROCHÁZKOVÁ Jana SISÁKOVÁ Alexandra ZACPALOVÁ Magdaléna CHAVDAROVA Melita MARINI PALOMEQUE María Victoria VŠIANSKÝ Vít WEISOVÁ Veronika SLÁVIKOVÁ Kristína BIRADAR Dhanraj Omprakash KHIRSARIYA PrashantKumar VITEK Marco SEDLAK David BARTUNEK Petr DANIEL Lukáš BREZOVSKÝ Jan DAMBORSKÝ Jiří PARUCH Kamil KREJČÍ Lumír

  Article in Periodical

  European Journal of Medicinal Chemistry, year: 2025, volume: 285, edition: March, DOI

• Engineering Dehalogenase Enzymes Using Variational Autoencoder-Generated Latent Spaces and Microfluidics

  KOHOUT Pavel VAŠINA Michal MAJEROVÁ Marika NOVÁKOVÁ Veronika DAMBORSKÝ Jiří BEDNÁŘ David MAREK Martin PROKOP Zbyněk MAZURENKO Stanislav

  Article in Periodical

  JACS AU, year: 2025, volume: 5, edition: 2, DOI

• Moldina: a fast and accurate search algorithm for simultaneous docking of multiple ligands

  HALFAR Radek DAMBORSKÝ Jiří MARQUES Sérgio Manuel MARTINOVIC Jan

  Article in Periodical

  Journal of Cheminformatics, year: 2025, volume: 17, edition: 1, DOI

• Structure Prediction and Computational Protein Design for Efficient Biocatalysts and Bioactive Proteins

  BULLER Rebecca DAMBORSKÝ Jiří HILVERT Donald BORNSCHEUER Uwe T.

  Article in Periodical

  Angewandte Chemie International Edition, year: 2025, volume: 64, edition: 2, DOI

• Visual Support for the Loop Grafting Workflow on Proteins

  OPÁLENÝ Filip ULBRICH Pavol PLANAS IGLESIAS Joan BYŠKA Jan ŠTOURAČ Jan BEDNÁŘ David FURMANOVÁ Katarína KOZLÍKOVÁ Barbora

  Article in Periodical

  IEEE Transactions on Visualization and Computer Graphics, year: 2025, volume: 31, edition: 1, DOI