Jeffry Madura
Jeffry Madura
Professor of Chemistry & Biochemistry, Duquesne University
Verified email at duq.edu - Homepage
Title
Cited by
Cited by
Year
Comparison of simple potential functions for simulating liquid water
WL Jorgensen, J Chandrasekhar, JD Madura, RW Impey, ML Klein
The Journal of chemical physics 79 (2), 926-935, 1983
283691983
Optimized intermolecular potential functions for liquid hydrocarbons
WL Jorgensen, JD Madura, CJ Swenson
Journal of the American Chemical Society 106 (22), 6638-6646, 1984
21721984
Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew
HW Horn, WC Swope, JW Pitera, JD Madura, TJ Dick, GL Hura, ...
The Journal of chemical physics 120 (20), 9665-9678, 2004
14572004
General chemistry
RH Petrucci, CM Cunningham, TE Moore
Macmillan, 1989
1134*1989
Temperature and size dependence for Monte Carlo simulations of TIP4P water
WL Jorgensen, JD Madura
Molecular Physics 56 (6), 1381-1392, 1985
8571985
Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics program
JD Madura, JM Briggs, RC Wade, ME Davis, BA Luty, A Ilin, J Antosiewicz, ...
Computer Physics Communications 91 (1-3), 57-95, 1995
7021995
Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian dynamics program
ME Davis, JD Madura, BA Luty, JA McCammon
Computer Physics Communications 62 (2-3), 187-197, 1991
5491991
Quantum and statistical mechanical studies of liquids. 25. Solvation and conformation of methanol in water
WL Jorgensen, JD Madura
Journal of the American Chemical Society 105 (6), 1407-1413, 1983
3591983
Química general
RH Petrucci, WS Harwood, FG Herring, SS Perry, CP García-Pumarino, ...
Fondo Educativo Interamericano, 1977
3391977
Ab initio and Monte Carlo calculations for a nucleophilic addition reaction in the gas phase and in aqueous solution
JD Madura, WL Jorgensen
Journal of the American Chemical Society 108 (10), 2517-2527, 1986
2571986
Mass spectrometry
AL Burlingame, TA Baillie, DH Russell
Analytical chemistry 64 (12), 467-502, 1992
217*1992
Potential functions for simulating liquid water
WL Jorgensen, J Chandrasekhar, JD Madura, RW Impey, ML Klein
J. Chem. Phys 79, 926-936, 1983
1751983
Biological applications of electrostatic calculations and Brownian dynamics simulations
JD Madura, ME Davist, MK Gilson, RC Wades, BA Luty, JA McCammon
Reviews in computational chemistry, 229-267, 1994
1691994
Atomic force microscopy and molecular modeling of protein and peptide binding to calcite
A Wierzbicki, CS Sikes, JD Madura, B Drake
Calcified tissue international 54 (2), 133-141, 1994
1421994
Electronic origins and consequences of pyramidalization of asymmetric alkenes in ground and triplet excited states
KN Houk, NG Rondan, FK Brown, WL Jorgensen, JD Madura, ...
Journal of the American Chemical Society 105 (19), 5980-5988, 1983
1391983
Network topology in simulated water
RJ Speedy, JD Madura, WL Jorgensen
Journal of Physical Chemistry 91 (4), 909-913, 1987
1381987
A Brownian dynamics study of the initial stages of hen egg-white lysozyme adsorption at a solid interface
S Ravichandran, JD Madura, J Talbot
The Journal of Physical Chemistry B 105 (17), 3610-3613, 2001
1302001
Family 18 chitinase–oligosaccharide substrate interaction: subsite preference and anomer selectivity of Serratia marcescens chitinase A
NN Aronson Jr, BA Halloran, MF Alexyev, L Amable, JD Madura, ...
Biochemical Journal 376 (1), 87-95, 2003
129*2003
Methods for applying the quantitative structure-activity relationship paradigm
EX Esposito, AJ Hopfinger, JD Madura
Chemoinformatics, 131-213, 2004
1202004
Molecular dynamics simulation with a continuum electrostatic model of the solvent
MK Gilson, JA McCammon, JD Madura
Journal of computational chemistry 16 (9), 1081-1095, 1995
1111995
The system can't perform the operation now. Try again later.
Articles 1–20