AB‐bind: antibody binding mutational database for computational affinity predictions S Sirin, JR Apgar, EM Bennett, AE Keating Protein Science 25 (2), 393-409, 2016 | 153 | 2016 |
A computational approach to enzyme design: Predicting ω-aminotransferase catalytic activity using docking and MM-GBSA scoring S Sirin, R Kumar, C Martinez, MJ Karmilowicz, P Ghosh, YA Abramov, ... Journal of chemical information and modeling 54 (8), 2334-2346, 2014 | 100 | 2014 |
Aging mechanism of soman inhibited acetylcholinesterase GS Sirin, Y Zhou, L Lior-Hoffmann, S Wang, Y Zhang The journal of physical chemistry B 116 (40), 12199-12207, 2012 | 76 | 2012 |
Physics‐based enzyme design: Predicting binding affinity and catalytic activity S Sirin, DA Pearlman, W Sherman Proteins: Structure, Function, and Bioinformatics 82 (12), 3397-3409, 2014 | 48 | 2014 |
How Is Acetylcholinesterase Phosphonylated by Soman? An Ab Initio QM/MM Molecular Dynamics Study GS Sirin, Y Zhang The journal of physical chemistry A 118 (39), 9132-9139, 2014 | 35 | 2014 |
Mechanistic and Computational Studies on the Reductive Half-Reaction of Tyrosine to Phenylalanine Active Site Variants of D-Arginine Dehydrogenase S Gannavaram, S Sirin, W Sherman, G Gadda Biochemistry, 2014 | 19 | 2014 |
Computational approach to enzyme design S Sirin, W Sherman ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 249, 2015 | | 2015 |