Congratulation to Stefano Bosisio and Antonia Mey for publishing Blinded predictions of distribution coefficients in the SAMPL5 challenge in J Comput Aided Mol Des.
Congratulation to Stefano Bosisio and Antonia Mey for publishing Blinded predictions of distribution coefficients in the SAMPL5 challenge in J Comput Aided Mol Des.
Congratulations to Antonia Mey who was awarded a poster prize for our work about binding free energy calculation at the UK's first conference of research software engineers. You can download the poster by clicking here.
Congratulation to George Gerogiokas for publishing Assessment of Hydration Thermodynamics at Protein Interfaces with Grid Cell Theory in J Phys Chem B.
Congratulation to Stefano Bosisio and Antonia Mey for publishing Blinded predictions of host-guest standard free energies of binding in the SAMPL5 challenge in J Comput Aided Mol Des.
Congratulation to Antonia Mey, Jordi Juarez-Jimenez and Alexis Hennessy for publishing Blinded predictions of binding modes and energies of HSP90-alpha ligands for the 2015 D3R Grand Challenge in Bioorg. Med. Chem.
Congratulation to Gaetano Calabro, Francis Powlesland and Antonia Mey for publishing Elucidation of Non-Additive Effects in Protein-Ligand Binding Energies: Thrombin as a Case Study in J Phys Chem B.
Julien's slides from the 2016 Workshop on Free energy Methods in Drug Design held in Boston last month are now available here.
Welcome to new visitor Prof. José Manuel Granadino Roldán from the University of Jaen in Spain. Jose will spend 4-month with us for a project on alchemical free energy calculations.
First group dinner of the year to welcome new members.
Welcome to new group members Cesar Mendoza Martinez and Kanhaya Lal. Cesar previously completed a PhD in Chemistry at the Universidad Nacional Autonoma de Mexico. Kanhaya previously completed a masters degree in pharmacoinformatics at NIPER Hajipur.