검색결과 : 5건
| No. | Article |
|---|---|
| 1 |
A Comprehensive Computational Study of the Interaction between Human Serum Albumin and Fullerenes Leonis G, Avramopoulos A, Papavasileiou KD, Reis H, Steinbrecher T, Papadopoulos MG Journal of Physical Chemistry B, 119(48), 14971, 2015 |
| 2 |
Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field Wang L, Wu YJ, Deng YQ, Kim B, Pierce L, Krilov G, Lupyan D, Robinson S, Dahlgren MK, Greenwood J, Romero DL, Masse C, Knight JL, Steinbrecher T, Beuming T, Damm W, Harder E, Sherman W, Brewer M, Wester R, Murcko M, Frye L, Farid R, Lin T, Mobley DL, Jorgensen WL, Berne BJ, Friesner RA, Abel R Journal of the American Chemical Society, 137(7), 2695, 2015 |
| 3 |
Tautomerism in 7-Hydroxyquinoline: A Combined Experimental and Theoretical Study in Water Al-Lawatia N, Husband J, Steinbrecher T, Abou-Zied OK Journal of Physical Chemistry A, 115(17), 4195, 2011 |
| 4 |
Nonadiabatic QM/MM Simulations of Fast Charge Transfer in Escherichia coli DNA Photolyase Woiczikowski PB, Steinbrecher T, Kubar T, Elstner M Journal of Physical Chemistry B, 115(32), 9846, 2011 |
| 5 |
Direct Simulation of Electron Transfer Reactions in DNA Radical Cations Steinbrecher T, Koslowski T, Case DA Journal of Physical Chemistry B, 112(51), 16935, 2008 |