Jeffry Madura
Jeffry Madura
Professor of Chemistry & Biochemistry, Duquesne University
Vahvistettu sähköpostiosoite verkkotunnuksessa duq.edu - Kotisivu
Nimike
Viittaukset
Viittaukset
Vuosi
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
308331983
Optimized intermolecular potential functions for liquid hydrocarbons
WL Jorgensen, JD Madura, CJ Swenson
Journal of the American Chemical Society 106 (22), 6638-6646, 1984
22611984
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
16022004
General chemistry: principles and modern applications
RH Petrucci, FG Herring, C Bissonnette, JD Madura
Pearson, 2017
1254*2017
Temperature and size dependence for Monte Carlo simulations of TIP4P water
WL Jorgensen, JD Madura
Molecular Physics 56 (6), 1381-1392, 1985
9001985
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
7201995
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
5621991
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
3841983
Química general
RH Petrucci, WS Harwood, FG Herring, SS Perry, CP García-Pumarino, ...
Fondo Educativo Interamericano, 1977
3571977
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
2611986
Mass spectrometry
AL Burlingame, TA Baillie, DH Russell
Analytical chemistry 64 (12), 467-502, 1992
197*1992
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
1701994
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
147*2003
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
1431994
Network topology in simulated water
RJ Speedy, JD Madura, WL Jorgensen
Journal of Physical Chemistry 91 (4), 909-913, 1987
1421987
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
1401983
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
1362001
Methods for applying the quantitative structure-activity relationship paradigm
EX Esposito, AJ Hopfinger, JD Madura
Chemoinformatics, 131-213, 2004
1232004
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
1142000
Gating of the active site of triose phosphate isomerase: Brownian dynamics simulations of flexible peptide loops in the enzyme
RC Wade, ME Davis, BA Luty, JD Madura, JA McCammon
Biophysical journal 64 (1), 9-15, 1993
1101993
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Artikkelit 1–20