Publications:

Combined Free-Energy Calculation and Machine Learning Methods for Understanding Ligand Unbinding Kinetics.

Journal Of Chemical Theory And Computation

Badaoui, Magd M; Buigues, Pedro J PJ; Berta, Dénes D; Mandana, Gaurav M GM; Gu, Hankang H; Földes, Tamás T; Dickson, Callum J CJ; Hornak, Viktor V; Kato, Mitsunori M; Molteni, Carla C; Parsons, Simon S; Rosta, Edina E

Publication Date: 2022-04-12

Variant appearance in text: SI: V73=

PubMed Link: 35195418

Variant Present in the following documents:

• ct1c00924_si_001.pdf

View BVdb publication page

DNA modification under mild conditions by Suzuki-Miyaura cross-coupling for the generation of functional probes.

Angewandte Chemie (International Ed. In English)

Lercher, Lukas L; McGouran, Joanna F JF; Kessler, Benedikt M BM; Schofield, Christopher J CJ; Davis, Benjamin G BG

Publication Date: 2013-09-27

Variant appearance in text: SI: V73=

PubMed Link: 23943570

Variant Present in the following documents:

• anie0052-10553-SD1.pdf

View BVdb publication page