Benjamin T Miller
Benjamin T Miller
Staff Scientist, National Heart, Lung, and Blood Insititute
Verified email at nhlbi.nih.gov
Title
Cited by
Cited by
Year
CHARMMing: a new, flexible web portal for CHARMM
BT Miller, RP Singh, JB Klauda, M Hodoscek, BR Brooks, HL Woodcock Iii
Journal of chemical information and modeling 48 (9), 1920-1929, 2008
1302008
Constant pH molecular dynamics in explicit solvent with enveloping distribution sampling and Hamiltonian exchange
J Lee, BT Miller, A Damjanovic, BR Brooks
Journal of chemical theory and computation 10 (7), 2738-2750, 2014
612014
A parallel implementation of the analytic nuclear gradient for time-dependent density functional theory within the Tamm–Dancoff approximation
F Liu, Z Gan, Y Shao, CP Hsu, A Dreuw, M Head-Gordon, BT Miller, ...
Molecular Physics 108 (19-20), 2791-2800, 2010
552010
ProBiS-CHARMMing: web interface for prediction and optimization of ligands in protein binding sites
J Konc, BT Miller, T Štular, S Lesnik, HL Woodcock, BR Brooks, ...
Journal of chemical information and modeling 55 (11), 2308-2314, 2015
502015
MSCALE: a general utility for multiscale modeling
HL Woodcock, BT Miller, M Hodoscek, A Okur, JD Larkin, JW Ponder, ...
Journal of chemical theory and computation 7 (4), 1208-1219, 2011
452011
Computation of hydration free energies using the multiple environment single system quantum mechanical/molecular mechanical method
G König, Y Mei, FC Pickard IV, AC Simmonett, BT Miller, JM Herbert, ...
Journal of chemical theory and computation 12 (1), 332-344, 2016
362016
Efficient calculation of QM/MM frequencies with the mobile block Hessian
A Ghysels, HL Woodcock III, JD Larkin, BT Miller, Y Shao, J Kong, ...
Journal of chemical theory and computation 7 (2), 496-514, 2011
362011
Computational scheme for pH‐dependent binding free energy calculation with explicit solvent
J Lee, BT Miller, BR Brooks
Protein Science 25 (1), 231-243, 2016
322016
Hydrophobic hydration and the anomalous partial molar volumes in ethanol-water mixtures
ML Tan, BT Miller, J Te, JR Cendagorta, BR Brooks, T Ichiye
The Journal of chemical physics 142 (6), 064501, 2015
322015
Enhancing constant-pH simulation in explicit solvent with a two-dimensional replica exchange method
J Lee, BT Miller, A Damjanovic, BR Brooks
Journal of chemical theory and computation 11 (6), 2560-2574, 2015
302015
Open science grid study of the coupling between conformation and water content in the interior of a protein
A Damjanovic, BT Miller, TJ Wenaus, P Maksimovic, B García-Moreno E, ...
Journal of chemical information and modeling 48 (10), 2021-2029, 2008
232008
Web-based computational chemistry education with CHARMMing I: Lessons and tutorial
BT Miller, RP Singh, V Schalk, Y Pevzner, J Sun, CS Miller, S Boresch, ...
PLoS computational biology 10 (7), e1003719, 2014
192014
Reservoir pH replica exchange
A Damjanovic, BT Miller, A Okur, BR Brooks
The Journal of chemical physics 149 (7), 072321, 2018
172018
Generating reservoir conformations for replica exchange through the use of the conformational space annealing method
A Okur, BT Miller, K Joo, J Lee, BR Brooks
Journal of chemical theory and computation 9 (2), 1115-1124, 2013
172013
Enhanced sampling in free energy calculations: combining SGLD with the Bennett’s acceptance ratio and enveloping distribution sampling methods
G König, BT Miller, S Boresch, X Wu, BR Brooks
Journal of chemical theory and computation 8 (10), 3650-3662, 2012
172012
Langevin network model of myosin
BT Miller, W Zheng, RM Venable, RW Pastor, BR Brooks
The Journal of Physical Chemistry B 112 (19), 6274-6281, 2008
172008
Comparing normal modes across different models and scales: Hessian reduction versus coarse‐graining
A Ghysels, BT Miller, FC Pickard IV, BR Brooks
Journal of computational chemistry 33 (28), 2250-2275, 2012
132012
Web-based computational chemistry education with CHARMMing III: Reduction potentials of electron transfer proteins
BS Perrin Jr, BT Miller, V Schalk, HL Woodcock, BR Brooks, T Ichiye
PLoS computational biology 10 (7), e1003739, 2014
82014
Development and implementation of (Q) SAR modeling within the CHARMMing web‐user interface
IE Weidlich, Y Pevzner, BT Miller, IV Filippov, HL Woodcock, BR Brooks
Journal of computational chemistry 36 (1), 62-67, 2015
72015
Web-based computational chemistry education with CHARMMing II: Coarse-grained protein folding
FC Pickard IV, BT Miller, V Schalk, MG Lerner, HL Woodcock III, ...
PLoS computational biology 10 (7), e1003738, 2014
72014
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Articles 1–20