TY - CHAP T1 - Modeling the free energy chances due to mutations of residues with multi conformation continuum electrostatic (MCCE) method: Application to reaction center proteins AU - Alexov, E. AU - Baciou, L. AU - Schiffer, M. AU - Sebban, P. AU - Hanson, D. AU - Gunner, M. TI - BIOPHYSICAL JOURNAL PY - 2000 VL - 78 IS - 1 SP - 31A EP - 31A ER - TY - CHAP T1 - Calculating the role of the protein in proton-and electron-transfer reactions. AU - Gunner, M. AU - Alexov, E. TI - ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY PY - 2000 VL - 219 SP - U346 EP - U346 ER - TY - CHAP T1 - Reorganization of the QB pocket of photosynthetic reaction centers stabilizes ionization changes. AU - Gunner, M. AU - Alexov, E. TI - ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY PY - 2000 VL - 220 SP - U186 EP - U186 ER - TY - CHAP T1 - pK (a) calculations with conformational flexibility: the multi conformation continuum electrostatics procedure (MCCE) AU - Gunner, M. AU - Karpman, D. AU - Alexov, E. TI - Biophysical Journal PY - 2000 VL - 78 IS - 1 SP - 31A EP - 31A ER - TY - JOUR T1 - Modeling the effects of mutations on the free energy of the first electron transfer from QA-to QB in photosynthetic reaction centers AU - Alexov, E. AU - Miksovska, J. AU - Baciou, L. AU - Schiffer, M. AU - Hanson, D. AU - Sebban, P. AU - Gunner, M. JO - Biochemistry PY - 2000 PB - ACS Publications VL - 39 IS - 20 SP - 5940 EP - 5952 ER - TY - JOUR T1 - A pragmatic approach to structure based calculation of coupled proton and electron transfer in proteins AU - Gunner, M. AU - Alexov, E. JO - Biochimica et Biophysica Acta (BBA)-Bioenergetics PY - 2000 PB - Elsevier VL - 1458 IS - 1 SP - 63 EP - 87 ER -