Publications

Authors: Rijo T. Cheriya, Ajith R. Mallia, Jimmy Joy, Vinayak Bhat, Suvarna Sujilkumar, Vinesh Vijayan, Alexander A. Voityuk, Lluís Blancafort, Mahesh Hariharan

The Journal of Physical Chemistry Letters, 2026, 17, 27, 7644-7650

DOI: 10.1021/acs.jpclett.6c01002

Integrative Multiscale Modeling of Biomolecular Interactions: From Mechanistic Understanding to Design

Authors: Carla Calvó‐Tusell, Miguel A. Maria‐Solano, Marc Garcia‐Borràs, Ferran Feixas

Computational Modeling of Biomolecular Interactions, 2026, 153-192

DOI: 10.1002/9781394316632.ch04

Investigation of Substrate Specificity in 5‐Keto‐4‐Deoxy‐Glucarate Dehydratase and 2‐Keto‐3‐Deoxy‐L‐Arabinonate Dehydratase

Authors: Kathrin Hörnschemeyer, Esther Pruna, Sílvia Osuna, Mikael Boden, Volker Sieber

ChemBioChem, 2026, 27, 14

DOI: 10.1002/cbic.70472

BenzDB, an Exhaustive Database of Benzenoids up toNine 6-Membered Rings

Authors: Adrien Varet, Cyril Terrioux, Nicolas Prcovic, Albert Artigas, Mouhamet Toure, Yoann Coquerel, Denis Hagebaum-Reignier, Yannick Carissan

Journal of Chemical Information and Modeling, 2026, 66, 14, 8396-8409

DOI: 10.1021/acs.jcim.6c01744

Together We Are Stronger: An Unexpected Synergistic Effect During Anionic Ligand Exchange in Ruthenium Olefin Metathesis Catalysts

Authors: Nebal Alassad, Keren Iudanov, Albert Poater, N. Gabriel Lemcoff

Advanced Synthesis & Catalysis, 2026, 368, 13

DOI: 10.1002/adsc.70610

How many protein pairs can we chemically target?

Authors: Maria J. Falaguera, Tudor I. Oprea, Jordi Mestres

Drug Discovery Today, 2026, 31, 4, 104718

DOI: 10.1016/j.drudis.2026.104718

Decoding Transmetalation in Miyaura Borylation: The Hidden Chemistry of Bis(pinacolato) Diboron and Base Effects

Authors: Massimo Christian D’Alterio, Eugenio Romano, Leandros P. Zorba, Gianluca Carì, Giovanni Talarico, Steven P. Nolan, Albert Poater

Advanced Synthesis & Catalysis, 2026, 368, 11

DOI: 10.1002/adsc.70542

Redirecting a Native Ene‐Reductase Toward Desaturation With Reverse Enantioselectivity

Authors: Qing‐Qing Zeng, Cristina Berga, Carla Calvó‐Tusell, Marc Garcia‐Borràs, Zhen Liu

Angewandte Chemie International Edition, 2026

DOI: 10.1002/anie.3155545

Influence of aged and non-aged environmentally relevant microplastics on zinc removal from aqueous media by Daphnia magna

Authors: Mary Isabel Villacís, Laura Torrent, Mònica Iglesias, Emili Besalú, Laura Borgese, Stefania Federici, Eva Marguí

Analytical and Bioanalytical Chemistry, 2026

DOI: 10.1007/s00216-026-06592-1

Strategic Functionalization of Benzylic C(sp 3 )H Bonds: Unlocking the Potential for Enantioselective δ ‐Lactonization

Authors: Angshuk Saha, Arnau Call, Daniel L. J. Broere, Robertus J. M. Klein Gebbink

Advanced Synthesis & Catalysis, 2026, 368, 9

DOI: 10.1002/adsc.70462

Installing Axial Chirality by Atroposelective C(sp 3 )–H Bond Oxidation

Authors: Margarida Borrell, Marco Galeotti, Laia Vicens, Tomer Mintz, Arnau Call, Doron Pappo, Miquel Costas

Journal of the American Chemical Society, 2026, 148, 20, 21080-21091

DOI: 10.1021/jacs.6c06123

Single-molecule kinetic exploration of functional sub-states in an evolving phosphotriesterase

Authors: Morito Sakuma, Dhani Ram Mahato, Ferran Feixas, Colin J. Jackson, Eiji Nakata, Sílvia Osuna, Nobuhiko Tokuriki

Nature Communications, 2026, 17, 1

DOI: 10.1038/s41467-026-72534-1

Local Quadrupole Ellipticity as Predictor of Anion‐Affinity in Nanographenes

Authors: Omkar Charapale, Sergio Posada‐Pérez, Albert Poater, Miquel Solà

Journal of Computational Chemistry, 2026, 47, 13

DOI: 10.1002/jcc.70393

Facile and regioselective B–H bond functionalization of carboranes via cage···I(III) interaction

Authors: Ping Zhang, Hongyuan Ren, Zhaofeng Sun, Hou-Ji Cao, Deshuang Tu, Chang-Sheng Lu, Jordi Poater, Miquel Solà, Hong Yan

Chinese Chemical Letters, 2026, 37, 5, 111617

DOI: 10.1016/j.cclet.2025.111617

ChemBang: Expanding the Chemical Space Around Small Molecules

Authors: Diana Montes‐Grajales, Luca Menestrina, Ricard Garcia‐Serna, Jordi Mestres

Molecular Informatics, 2026, 45, 5

DOI: 10.1002/minf.70036

Synthesis of low molecular weight polyisobutylene using a sulfonated polyionic liquid as coinitiator

Authors: Sahand Hatami Ahmadvandi, Mehdi Nekoomanesh Haghighi, Maciej Spiegel, Josep Duran, Fereshteh Karkhaneh Yousefi, Naeimeh Bahri-Laleh, Samahe Sadjadi, Albert Poater

Results in Chemistry, 2026, 24, 103217

DOI: 10.1016/j.rechem.2026.103217

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