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Proteins|June 9, 2007
Evaluation of docking programs for predicting binding of Golgi alpha-mannosidase II inhibitors: a comparison with crystallographyPablo Englebienne, Hélène Fiaux, Douglas A Kuntz, et al.
Journal of Chemical Information and Modeling|September 24, 2020
Improved Accuracy for Modeling PROTAC-Mediated Ternary Complex Formation and Targeted Protein Degradation <i>via</i> New <i>In Silico</i> MethodologiesMichael L Drummond, Andrew Henry, Huifang Li, et al.
Journal of Chemical Information and Modeling|March 18, 2008
Docking ligands into flexible and solvated macromolecules. 2. Development and application of fitted 1.5 to the virtual screening of potential HCV polymerase inhibitorsChristopher R Corbeil, Pablo Englebienne, Constantin G Yannopoulos, et al.
The Journal of Physical Chemistry. B|November 22, 2013
Raman and ab initio investigation of aqueous Cu(I) chloride complexes from 25 to 80 °CLucas M S G A Applegarth, Christopher R Corbeil, Darren J W Mercer, et al.
Journal of Chemical Information and Modeling|December 3, 2011
Integrating medicinal chemistry, organic/combinatorial chemistry, and computational chemistry for the discovery of selective estrogen receptor modulators with Forecaster, a novel platform for drug discoveryEric Therrien, Pablo Englebienne, Andrew G Arrowsmith, et al.
Frontiers in Molecular Biosciences|September 11, 2023
Exploring rigid-backbone protein docking in biologics discovery: a test using the DARPin scaffoldFrancis Gaudreault, Jason Baardsnes, Yuliya Martynova, et al.
Journal of Chemical Theory and Computation|January 9, 2023
AMBER Free Energy Tools: A New Framework for the Design of Optimized Alchemical Transformation PathwaysHsu-Chun Tsai, Tai-Sung Lee, Abir Ganguly, et al.
ACS Medicinal Chemistry Letters|May 20, 2026
DEL2PH4: Predictive 3D Pharmacophores from DNA-Encoded Library Screening DataMiklos Feher, Rebecca J Swett, Ryan T Walsh, et al.
Molecular Pharmaceutics|July 22, 2025
A Pharmacophore-Based Method for Rapid and Accurate Virtual Screening of Antibody Libraries against AntigensChristopher I Williams, Farbod Mahmoudinobar, David C Thompson, et al.
Scientific Reports|November 2, 2021
Redesigning an antibody H3 loop by virtual screening of a small library of human germline-derived sequencesChristopher R Corbeil, Mahder Seifu Manenda, Traian Sulea, et al.
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