Asim Okur
机构: Scientific Information Officer, National Institute of Mental Health, NIH
每年引用次数
引用次数
引用: 9,209
H-指数: 16
I10-指数 : 16
出版物: 25
The unfolded state of the villin headpiece helical subdomain: computational studies of the role of locally stabilized structure.
Lauren Wickstrom , Asim Okur , Kun Song , Viktor Hornak
Journal of Molecular Biology 360 ( 5) 1094 -1107
40
2006
MDMS: Molecular Dynamics Meta-Simulator for evaluating exchange type sampling methods.
Daniel B. Smith , Asim Okur , Bernard R. Brooks
Chemical Physics Letters 545 118 -124
5
2012
Improved Efficiency of Replica Exchange Simulations through Use of a Hybrid Explicit/Implicit Solvation Model
Asim Okur , Lauren Wickstrom , Melinda Layten , Raphäel Geney
Journal of Chemical Theory and Computation 2 ( 2) 420 -433
104
2006
MSCALE: A General Utility for Multiscale Modeling
H. Lee Woodcock , Benjamin T. Miller , Milan Hodoscek , Asim Okur
Journal of Chemical Theory and Computation 7 ( 4) 1208 -1219
39
2011
Generating reservoir conformations for replica exchange through the use of the conformational space annealing method.
Asim Okur , Benjamin T Miller , Keehyoung Joo , Jooyoung Lee
Journal of Chemical Theory and Computation 9 ( 2) 1115 -1124
6
2013
Improving Convergence of Replica-Exchange Simulations through Coupling to a High-Temperature Structure Reservoir.
Asim Okur , Daniel R. Roe , Guanglei Cui , Viktor Hornak
Journal of Chemical Theory and Computation 3 ( 2) 557 -568
59
2007
HIV-1 Protease Flaps Spontaneously Close to the Correct Structure in Simulations Following Manual Placement of an Inhibitor into the Open State
Viktor Hornak , Asim Okur , Robert C. Rizzo , Carlos Simmerling
Journal of the American Chemical Society 128 ( 9) 2812 -2813
95
2006
Evaluating the performance of the ff99SB force field based on NMR scalar coupling data.
Lauren Wickstrom , Asim Okur , Carlos Simmerling
Biophysical Journal 97 ( 3) 853 -856
166
2009
Improving the Description of Salt Bridge Strength and Geometry in a Generalized Born Model
Yi Shang , Hai Nguyen , Lauren Wickstrom , Asim Okur
Journal of Molecular Graphics & Modelling 29 ( 5) 676 -684
12
2011
Reservoir pH replica exchange.
Ana Damjanovic , Benjamin T. Miller , Asim Okur , Bernard R. Brooks
Journal of Chemical Physics 149 ( 7) 072321
7
2018
Comparison of multiple Amber force fields and development of improved protein backbone parameters.
Viktor Hornak , Robert Abel , Asim Okur , Bentley Strockbine
Proteins 65 ( 3) 712 -725
6,738
2006
Using PC clusters to evaluate the transferability of molecular mechanics force fields for proteins.
Asim Okur , Bentley Strockbine , Viktor Hornak , Carlos Simmerling
Journal of Computational Chemistry 24 ( 1) 21 -31
78
2003
Constant pH Simulations with the Double Reservoir pH Replica Exchange
Ana Damjanovic , Benjamin T. Miller , Asim Okur , Bertrand Garcia-Moreno
Biophysical Journal 108 ( 2)
2015
Evaluation of Salt Bridge Structure and Energetics in Peptides Using Explicit, Implicit, and Hybrid Solvation Models.
Asim Okur , Lauren Wickstrom , Carlos Simmerling
Journal of Chemical Theory and Computation 4 ( 3) 488 -498
51
2008
Secondary structure bias in generalized Born solvent models: comparison of conformational ensembles and free energy of solvent polarization from explicit and implicit solvation.
Daniel R. Roe , Asim Okur , Lauren Wickstrom , Viktor Hornak
Journal of Physical Chemistry B 111 ( 7) 1846 -1857
104
2007
Coupling of replica exchange simulations to a non-Boltzmann structure reservoir.
Adrian E. Roitberg , Asim Okur , Carlos Simmerling
Journal of Physical Chemistry B 111 ( 10) 2415 -2418
71
2007
Using simulation of simulations to evaluate and improve Reservoir Replica Exchange methods through transition state theory
Asim Okur , Daniel Smith , Bernard R Brooks
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244
2012
Hybrid explicit/implicit solvation methods
Asim Okur , Carlos Simmerling
Annual reports in computational chemistry 2 97 -109
43
2006
Flap structure and dynamics in HIV-1 protease simulations
Viktor Hornak , Asim Okur , Robert C Rizzo , Carlos L Simmerling
Abstracts of Papers of the American Chemical Society 231
2
2006
PHYS 185-Modified replica exchange methods for faster convergence and reduced computational cost
Carlos Simmerling , Adrian Roitberg , Asim Okur , Viktor Hornak
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 232
2006