Michael Lee
Michael Lee
Verified email at mail.mil
Title
Cited by
Cited by
Year
Advances in methods and algorithms in a modern quantum chemistry program package
Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006
26662006
Generalized born model with a simple smoothing function
W Im, MS Lee, CL Brooks III
Journal of computational chemistry 24 (14), 1691-1702, 2003
7052003
Q‐Chem 2.0: a high‐performance ab initio electronic structure program package
J Kong, CA White, AI Krylov, D Sherrill, RD Adamson, TR Furlani, MS Lee, ...
Journal of Computational Chemistry 21 (16), 1532-1548, 2000
6652000
Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures
M Feig, A Onufriev, MS Lee, W Im, DA Case, CL Brooks III
Journal of computational chemistry 25 (2), 265-284, 2004
6362004
New analytic approximation to the standard molecular volume definition and its application to generalized Born calculations
MS Lee, M Feig, FR Salsbury Jr, CL Brooks III
Journal of computational chemistry 24 (11), 1348-1356, 2003
5452003
Novel generalized Born methods
MS Lee, FR Salsbury Jr, CL Brooks III
The Journal of chemical physics 116 (24), 10606-10614, 2002
5152002
Constant‐pH molecular dynamics using continuous titration coordinates
MS Lee, FR Salsbury Jr, CL Brooks III
Proteins: Structure, Function, and Bioinformatics 56 (4), 738-752, 2004
3352004
Closely approximating second-order Mo/ller–Plesset perturbation theory with a local triatomics in molecules model
MS Lee, PE Maslen, M Head-Gordon
The Journal of Chemical Physics 112 (8), 3592-3601, 2000
1942000
Calculation of absolute protein-ligand binding affinity using path and endpoint approaches
MS Lee, MA Olson
Biophysical journal 90 (3), 864-877, 2006
1832006
On the performance of density functional theory for symmetry-breaking problems
CD Sherrill, MS Lee, M Head-Gordon
Chemical physics letters 302 (5-6), 425-430, 1999
1471999
An efficient hybrid explicit/implicit solvent method for biomolecular simulations
MS Lee, FR Salsbury Jr, MA Olson
Journal of computational chemistry 25 (16), 1967-1978, 2004
1402004
Locality and sparsity of ab initio one-particle density matrices and localized orbitals
PE Maslen, C Ochsenfeld, CA White, MS Lee, M Head-Gordon
The Journal of Physical Chemistry A 102 (12), 2215-2222, 1998
1261998
Small-molecule probes targeting the viral PPxY-host Nedd4 interface block egress of a broad range of RNA viruses
Z Han, J Lu, Y Liu, B Davis, MS Lee, MA Olson, G Ruthel, BD Freedman, ...
Journal of virology 88 (13), 7294-7306, 2014
992014
Advances in methods and algorithms in a modern quantum chemistry program package
JM Herbert, C Yeh Lin, T Van Voorhis, S Hung Chien, A Sodt, RP Steele, ...
Phys. Chem. Chem. Phys 8, 3172, 2006
882006
Evaluation of Poisson solvation models using a hybrid explicit/implicit solvent method
MS Lee, MA Olson
The Journal of Physical Chemistry B 109 (11), 5223-5236, 2005
772005
The tensor properties of energy gradients within a non-orthogonal basis
CA White, P Maslen, MS Lee, M Head-Gordon
Chemical physics letters 276 (1-2), 133-138, 1997
731997
Identification of Small-Molecule Inhibitors of Yersinia pestis Type III Secretion System YscN ATPase
W Swietnicki, D Carmany, M Retford, M Guelta, R Dorsey, J Bozue, ...
PLoS One 6 (5), e19716, 2011
722011
In silico derived small molecules bind the filovirus VP35 protein and inhibit its polymerase cofactor activity
CS Brown, MS Lee, DW Leung, T Wang, W Xu, P Luthra, M Anantpadma, ...
Journal of molecular biology 426 (10), 2045-2058, 2014
712014
An accurate local model for triple substitutions in fourth order Møller–Plesset theory and in perturbative corrections to singles and doubles coupled cluster methods
PE Maslen, MS Lee, M Head-Gordon
Chemical Physics Letters 319 (3-4), 205-212, 2000
702000
Phys. Chem. Chem. Phys.
Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
672006
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