Jeffry D. Madura

发表

CoMFA 3D-QSAR Analysis of HIV-1 RT Nonnucleoside Inhibitors, TIBO Derivatives Based on Docking Conformation and Alignment

Zhigang Zhou, Jeffry D. Madura, J. Madura, 2004, J. Chem. Inf. Model..

β-Amyloid and Neprilysin Computational Studies Identify Critical Residues Implicated in Binding Specificity

Jeffry D. Madura, Darrick Pope, Michael Cascio, 2014, J. Chem. Inf. Model..

A Review of Coarse-Grained Molecular Dynamics Techniques to Access Extended Spatial and Temporal Scales in Biomolecular Simulations

Jeffry D. Madura, Bonnie A. Merchant, J. Madura, 2011 .

Discovery of Novel Selective Serotonin Reuptake Inhibitors through Development of a Protein-Based Pharmacophore

Christopher K. Surratt, Jeffry D. Madura, Sankar Manepalli, 2011, J. Chem. Inf. Model..

Jaap Heringa, Wentian Li, Jeffry D. Madura, 2016, Comput. Biol. Chem..

Quantitative Impact of a Cognitive Modeling Intelligent Tutoring System on Student Performance in Balancing Chemical Equations

Connie M. Moss, Benny G. Johnson, Jeffry D. Madura, 2002 .

Computational Chemistry in the Undergraduate Curriculum

Frank Rioux, Jeffry D. Madura, Roger L. DeKock, 2007 .

Homology Modeling of Glycosyl Hydrolase Family 18 Enzymes and Proteins

Jeffry D. Madura, Nathan N. Aronson, Christopher J. Blanchard, 1997, J. Chem. Inf. Comput. Sci..

Modeling Studies of Binding of Sea Raven Type II Antifreeze Protein to Ice

Jeffry D. Madura, Frank D. Sönnichsen, Andrzej Wierzbicki, 1997, J. Chem. Inf. Comput. Sci..

Receptor-Based Modeling and 3D-QSAR for a Quantitative Production of the Butyrylcholinesterase Inhibitors Based on Genetic Algorithm

Reaz Uddin, Jeffry D. Madura, Mohammad Iqbal Choudhary, 2008, J. Chem. Inf. Model..

A Role for Fragment-Based Drug Design in Developing Novel Lead Compounds for Central Nervous System Targets

Christopher K. Surratt, Jeffry D. Madura, J. Madura, 2015, Front. Neurol..

Ab initio and Monte Carlo calculations for a nucleophilic addition reaction in the gas phase and in aqueous solution

William L. Jorgensen, Jeffry D. Madura, W. L. Jorgensen, 1986 .

Network topology in simulated water

William L. Jorgensen, Jeffry D. Madura, W. L. Jorgensen, 1987 .

A Brownian Dynamics Study of the Initial Stages of Hen Egg-White Lysozyme Adsorption at a Solid Interface

Jeffry D. Madura, Julian Talbot, J. Madura, 2001 .

Discovery of Novel-Scaffold Monoamine Transporter Ligands via in Silico Screening with the S1 Pocket of the Serotonin Transporter

Christopher K. Surratt, Jeffry D. Madura, Laura M. Geffert, 2014, ACS chemical neuroscience.

A cell multipole based domain decomposition algorithm for molecular dynamics simulation of systems of arbitrary shape

Jeffry D. Madura, J. Madura, Pasupulati Lakshminarasimhulu, 2002 .

Temperature and size dependence for Monte Carlo simulations of TIP4P water

William L. Jorgensen, Jeffry D. Madura, W. L. Jorgensen, 1985 .

Biological Applications of Electrostatic Calculations and Brownian Dynamics Simulations

J. Andrew McCammon, Michael K. Gilson, Brock A. Luty, 2007 .

Brownian Dynamics Simulations of Diffusional Encounters between Triose Phosphate Isomerase and Glyceraldehyde Phosphate: Electrostatic Steering of Glyceraldehyde Phosphate

J. Andrew McCammon, Rebecca C. Wade, Brock A. Luty, 1993 .

Optimized intermolecular potential functions for liquid hydrocarbons

William L. Jorgensen, Jeffry D. Madura, Carol J. Swenson, 1984 .

Effects of truncating long-range interactions in aqueous ionic solution simulations

B. Montgomery Pettitt, Jeffry D. Madura, J. Madura, 1988 .

Quantum and statistical mechanical studies of liquids. 25. Solvation and conformation of methanol in water

William L. Jorgensen, Jeffry D. Madura, W. L. Jorgensen, 1983 .