Computing alchemical free energy differences with Hamiltonian replica exchange molecular dynamics (H-REMD) simulations Y Meng, D Sabri Dashti, AE Roitberg Journal of chemical theory and computation 7 (9), 2721-2727, 2011 | 106 | 2011 |
pH-Replica Exchange Molecular Dynamics in Proteins Using a Discrete Protonation Method D Sabri Dashti, Y Meng, AE Roitberg The Journal of Physical Chemistry B, 2012 | 50 | 2012 |
Optimization of umbrella sampling replica exchange molecular dynamics by replica positioning D Sabri Dashti, AE Roitberg Journal of chemical theory and computation 9 (11), 4692-4699, 2013 | 48 | 2013 |
Prediction of trypsin/molecular fragment binding affinities by free energy decomposition and empirical scores ML Benson, JC Faver, MN Ucisik, DS Dashti, Z Zheng, KM Merz Journal of computer-aided molecular design 26, 647-659, 2012 | 25 | 2012 |
Pairwise additivity of energy components in protein-ligand binding: The HIV II protease-indinavir case MN Ucisik, DS Dashti, JC Faver, KM Merz The Journal of chemical physics 135 (8), 2011 | 24 | 2011 |
Effect of Ce substitution in RuGd2–xCexSr2Cu2O10–δ (Ru‐1222) H Hadipour, D Sabri, M Mirzadeh, M Akhavan physica status solidi (c) 3 (9), 2982-2985, 2006 | 8 | 2006 |
Electrical and magnetic properties of RuGd1.6Ce0.4Sr2Cu2O10–δ D Sabri, H Hadipour, M Mirzadeh, M Akhavan physica status solidi c 3 (9), 2964-2967, 2006 | 6 | 2006 |
Optimization of constant pH replica exchange molecular dynamics method D Sabri Dashti, A Roitberg APS March Meeting Abstracts 2014, F19. 004, 2014 | | 2014 |
Estimation and Optimization of the Exchange Acceptance in Umbrella Sampling Replica Exchange Molecular Dynamics DS Dashti, A Roitberg ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245, 2013 | | 2013 |
Developing and Optimizing the Replica Exchange-Based Free Energy Methods DS Dashti University of Florida, 2013 | | 2013 |
Calculating the shift in pKa of the position 66 for an Staphylococcal nuclease mutant with the Replica Exchange Free Energy Perturbation method D Sabri Dashti, A Roitberg APS March Meeting Abstracts 2011, J39. 012, 2011 | | 2011 |
A statistical estimation of the precision of reweighting-based simulations D Sabri Dashti, AE Roitberg APS March Meeting Abstracts 2010, Z25. 005, 2010 | | 2010 |
Electrical and magnetic properties of RuGd {sub 1.6} Ce {sub 0.4} Sr {sub 2} Cu {sub 2} O {sub 10-{delta}} D Sabri, H Hadipour, M Mirzadeh, M Akhavan Physica Status Solidi C 3, 2006 | | 2006 |
Effect of Ce substitution in RuGd {sub 2-x} Ce {sub x} Sr {sub 2} Cu {sub 2} O {sub 10-{delta}}(Ru-1222) H Hadipour, D Sabri, M Mirzadeh, M Akhavan Physica Status Solidi C 3, 2006 | | 2006 |
Effect of Ce substitution in RuGd {sub 2-x} Ce {sub x} Sr {sub 2} Cu {sub 2} O {sub 10-{delta}}(Ru-1222); Asar-e jaygozini-e Ce rooye khavas-e abar resanayee-e RuGd {sub 2-x … H Hadipour, D Sabri, M Akhavan | | 2006 |
Electrical properties of Ru (Gd {sub 2-x} Ce {sub x}) Sr {sub 2} Cu {sub 2} O {sub 10-{delta}} in normal state; Khavase electriki-ye Ru (Gd {sub 2-x} Ce {sub x}) Sr {sub 2} Cu … D Sabri, H Hadipour, M Akhavan | | 2006 |
Electrical properties of Ru (Gd 2-x Ce x) Sr 2 Cu 2 O 10-δ in normal state D Sabri, H Hadipour, M Akhavan | | |