J. Med. Chem.

Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.

Thorsell AG, Ekblad T, Karlberg T, ..., Cohen MS, Schüler H

J. Med. Chem. 60 (4) 1262-1271 [2017-02-23; online 2016-12-21]

Affiliated researcher

Structure-Based Discovery of A2A Adenosine Receptor Ligands

Carlsson J, Yoo L, Gao ZG, ..., Shoichet BK, Jacobson KA

J. Med. Chem. 53 (9) 3748-3755 [2010-05-13; online 2010-05-13]

Jens Carlsson SciLifeLab Fellow

Combining docking, molecular dynamics and the linear interaction energy method to predict binding modes and affinities for non-nucleoside inhibitors to HIV-1 reverse transcriptase.

Carlsson J, Boukharta L, Aqvist J

J. Med. Chem. 51 (9) 2648-2656 [2008-05-08; online 2008-04-12]

Jens Carlsson SciLifeLab Fellow

Predicting binding modes from free energy calculations.

Nervall M, Hanspers P, Carlsson J, Boukharta L, Aqvist J

J. Med. Chem. 51 (9) 2657-2667 [2008-05-08; online 2008-04-12]

Jens Carlsson SciLifeLab Fellow