Mgr. Ing. Crina-Maria Ionescu, Ph.D.

2015

• IONESCU, CM; SEHNAL, D; FALGINELLA, FL; PANT, P; PRAVDA, L; BOUCHAL, T; VAREKOVA, RS; GEIDL, S; KOCA, J, 2015:AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules. JOURNAL OF CHEMINFORMATICS 7

2012

• IONESCU, CM; VAREKOVA, RS; PREHN, JHM; HUBER, HJ; KOCA, J, 2012:Charge Profile Analysis Reveals That Activation of Pro-apoptotic Regulators Bax and Bak Relies on Charge Transfer Mediated Allosteric Regulation. PLOS COMPUTATIONAL BIOLOGY 8 (6)
• SEHNAL, D; VAREKOVA, RS; HUBER, HJ; GEIDL, S; IONESCU, CM; WIMMEROVA, M; KOCA, J, 2012:SiteBinder: An Improved Approach for Comparing Multiple Protein Structural Motifs. JOURNAL OF CHEMICAL INFORMATION AND MODELING 52 (2), p. 343 - 359.

2011

• VAREKOVA, RS; GEIDL, S; IONESCU, CM; SKREHOTA, O; KUDERA, M; SEHNAL, D; BOUCHAL, T; ABAGYAN, R; HUBER, HJ; KOCA, J, 2011:Predicting pK(a) Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes. JOURNAL OF CHEMICAL INFORMATION AND MODELING 51 (8), p. 1795 - 1806.