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Nature Communications|January 31, 2026
Developments and challenges in hit progression within fragment-based drug discoveryHarold Grosjean, Philip C BigginJournal of Computer-Aided Molecular Design|April 15, 2022
SAMPL7 protein-ligand challenge: A community-wide evaluation of computational methods against fragment screening and pose-predictionHarold Grosjean, Mehtap Işık, Anthony Aimon, et al.Chemical Science|January 15, 2026
Structure-activity relationships can be directly extracted from high-throughput crystallographic evaluation of fragment elaborations in crude reaction mixturesHarold Grosjean, Kate K Fieseler, Rubén Sanchez-Garcia, et al.Biochemistry|April 2, 2010
Conformational preferences of a 14-residue fibrillogenic peptide from acetylcholinesteraseRanjit Vijayan, Philip C BigginPlos One|August 17, 2013
Mutationmapper: a tool to aid the mapping of protein mutation dataShabana Vohra, Philip C BigginBiochemical Society Transactions|October 31, 2015
Homology modelling of human P-glycoproteinLaura Domicevica, Philip C BigginJournal of Chemical Information and Modeling|August 3, 2016
Steered Molecular Dynamics Simulations Predict Conformational Stability of Glutamate ReceptorsMaria Musgaard, Philip C BigginBiophysical Journal|August 12, 2008
A steroid in a lipid bilayer: localization, orientation, and energeticsRanjit Vijayan, Philip C BigginProteins|May 15, 2013
Substrate versus inhibitor dynamics of P-glycoproteinJerome Ma, Philip C BigginPageof 16