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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
414251983
Optimized intermolecular potential functions for liquid hydrocarbons
WL Jorgensen, JD Madura, CJ Swenson
Journal of the American Chemical Society 106 (22), 6638-6646, 1984
26751984
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
22262004
General chemistry
R Petrucci
Principles and Modern Applications, 1985
13651985
Temperature and size dependence for Monte Carlo simulations of TIP4P water
WL Jorgensen, JD Madura
Molecular Physics 56 (6), 1381-1392, 1985
10621985
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
7681995
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
5961991
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
4821983
Comparison of simple potential functions for simulating liquid water
WL Jorgenson, J Chandrasekhar, JD Madura, RW Impey, ML Klein
J. Chem. Phys 79, 926-935, 1983
4451983
Química general
RH Petrucci, WS Harwood, FG Herring, SS Perry, CP García-Pumarino, ...
Fondo Educativo Interamericano, 1977
4271977
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
2851986
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
191*2003
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
1861994
Methods for applying the quantitative structure-activity relationship paradigm
EX Esposito, AJ Hopfinger, JD Madura
Chemoinformatics: Concepts, methods, and tools for drug discovery, 131-213, 2004
1622004
Network topology in simulated water
RJ Speedy, JD Madura, WL Jorgensen
Journal of Physical Chemistry 91 (4), 909-913, 1987
1581987
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
1571994
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
1471983
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
1422001
Biennial review mass spectrometry
AL Burlingame, A Dell, DH Russell
Anal. Chem. 54, 363R-409R, 1982
133*1982
Molecular recognition and binding of thermal hysteresis proteins to ice
JD Madura, K Baran, A Wierzbicki
Journal of Molecular Recognition 13 (2), 101-113, 2000
1272000
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Articles 1–20