T. Stouch

发表

Transmembrane helix structure, dynamics, and interactions: multi-nanosecond molecular dynamics simulations.

L. Shen, D. Bassolino, T. Stouch, 1997, Biophysical journal.

Chance Factors in Nonparametric Linear Discriminant Studies

P. Jurs, T. Stouch, 1986 .

Computer simulation of a phospholipid monolayer‐water system: The influence of long range forces on water structure and dynamics

Terry R. Stouch, D. Bassolino, T. Stouch, 1993 .

Solute diffusion in lipid bilayer membranes: an atomic level study by molecular dynamics simulation.

T R Stouch, T. Stouch, D. Bassolino-Klimas, 1993, Biochemistry.

Orientation and Diffusion of a Drug Analog in Biomembranes: Molecular Dynamics Simulations

Terry R. Stouch, T. Stouch, H. Alper, 1995 .

Mechanism of Solute Diffusion through Lipid Bilayer Membranes by Molecular Dynamics Simulation

Terry R. Stouch, Donna Bassolino-Klimas, T. Stouch, 1995 .

An atomic and molecular view of the depth dependence of the free energies of solute transfer from water into lipid bilayers.

Terry R Stouch, Bradley D Anderson, Malcolm E. Davis, 2011, Molecular pharmaceutics.

Functional group dependence of solute partitioning to various locations within a DOPC bilayer: a comparison of molecular dynamics simulations with experiment.

Terry R Stouch, Bradley D Anderson, Malcolm E. Davis, 2011, Journal of pharmaceutical sciences.

Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop.

Haruki Nakamura, Evan Bolton, Zukang Feng, 2016, Structure.

Affinity and specificity of serine endopeptidase-protein inhibitor interactions. Empirical free energy calculations based on X-ray crystallographic structures.

T. Stouch, S. Krystek, J. Novotný, 1993, Journal of molecular biology.

Chemical Genetics Reveals an RGS/G-Protein Role in the Action of a Compound

Stanley R Krystek, Terry Stouch, Lynn Bjerke, 2006, PLoS genetics.

Progress in understanding the structure-activity relationships of P-glycoprotein.

Terry R Stouch, T. Stouch, Olafur Gudmundsson, 2002, Advanced drug delivery reviews.

The limiting behavior of water hydrating a phospholipid monolayer: A computer simulation study

Terry R. Stouch, Donna Bassolino-Klimas, T. Stouch, 1993 .

Exploring the physicochemical properties of oxime-reactivation therapeutics for cyclosarin, sarin, tabun, and VX inactivated acetylcholinesterase.

J. Madura, T. Stouch, E. X. Esposito, 2014, Chemical research in toxicology.

Solute transport and partitioning in lipid bilayers: Molecular dynamics simulations

T. Stouch, 1997 .

Movement of Small Molecules in Lipid Bilayers: Molecular Dynamics Simulation Studies

D. Bassolino, T. Stouch, 1996 .

Mechanism of Inhibition of Novel Tryptophan Hydroxylase Inhibitors Revealed by Co-crystal Structures and Kinetic Analysis

Giovanni Cianchetta, T. Stouch, R. Swanson, 2010, Current chemical genomics.

Lead optimization and structure-based design of potent and bioavailable deoxycytidine kinase inhibitors.

Alan G. E. Wilson, M. Shen, T. Stouch, 2009, Bioorganic & medicinal chemistry letters.

Substituted 3-(4-(1,3,5-triazin-2-yl)-phenyl)-2-aminopropanoic acids as novel tryptophan hydroxylase inhibitors.

Alan G. E. Wilson, Giovanni Cianchetta, Z. Ding, 2009, Bioorganic & medicinal chemistry letters.

Synthesis and structure-activity relationship of 3-arylbenzoxazines as selective estrogen receptor β agonists

Susan E. Johnson, R. Seethala, T. Stouch, 2004 .

AB INITIO STUDIES OF LIPID MODEL SPECIES. II: CONFORMATIONAL ANALYSIS OF INOSITOLS

A. Hagler, T. Stouch, C. Liang, 1994 .

Synthesis and characterization of 3-arylquinazolinone and 3-arylquinazolinethione derivatives as selective estrogen receptor beta modulators.

Rong Zhou, Zhengping Ma, Terry Stouch, 2006, Journal of medicinal chemistry.

Discovery of a tetrazole-based growth hormone secretagogue: 4-(hydroxybutyl)carbamic acid 2-{5-[1-(2-amino-2-methylpropionylamino)-2- benzyloxyethyl]tetrazol-1-yl}ethyl ester (BMS-317180).

W. Humphreys, K. Dickinson, R. Seethala, 2007, Journal of medicinal chemistry.

Synthesis of methyl 3-deoxy-3-methylaminoarabinopyranoside, a component of some aminoglycoside antibiotics

T. Stouch, S. Remiszewski, S. Weinreb, 1985 .

Ab initio studies of lipid model species. 1. Dimethyl phosphate and methyl propyl phosphate anions

Terry R. Stouch, Arnold T. Hagler, Congxin Liang, 1993 .

Solvent Structure around Cations Determined by 1H ENDOR Spectroscopy and Molecular Dynamics Simulation

T. Stouch, G. Dismukes, M. Sivaraja, 1992 .

Force field studies of cholesterol and cholesteryl acetate crystals and cholesterol–cholesterol intermolecular interactions

Terry R. Stouch, Arnold T. Hagler, Jörg-Rüdiger Hill, 1995, J. Comput. Chem..

Substituent effects on the ionization and partitioning of p-(aminoethyl)phenols and structurally related compounds: electrostatic effects dependent on conformation.

Terry R Stouch, Bradley D Anderson, T. Stouch, 2009, Journal of pharmaceutical sciences.

Best practices for artificial intelligence in life sciences research.

T. Stouch, Chris D. Willis, V. Makarov, 2021, Drug discovery today.

Biological Testing of Organophosphorus-Inactivated Acetylcholinesterase Oxime Reactivators Identified via Virtual Screening.

J. Madura, T. Stouch, Sankar Manepalli, 2016, Chemical research in toxicology.

Potent and selective biphenyl azole inhibitors of adipocyte fatty acid binding protein (aFABP).

David S. Taylor, R. Parker, R. Stoffel, 2007, Bioorganic & medicinal chemistry letters.

Outcome of a workshop on applications of protein models in biomedical research.

Roland L Dunbrack, Roland L. Dunbrack, Andrej Sali, 2009, Structure.

Automated selection of models for the simulation of carbon-13 nuclear magnetic resonance spectra

Terry R. Stouch, Peter C. Jurs, Gary W. Small, 1984 .

Extensive molecular dynamics simulations of a β‐hairpin‐forming peptide

K. Constantine, M. Friedrichs, T. Stouch, 1998 .

Modulation of peripheral serotonin levels by novel tryptophan hydroxylase inhibitors for the potential treatment of functional gastrointestinal disorders.

Alan G. E. Wilson, T. Stouch, S. D. Kimball, 2008, Journal of medicinal chemistry.

Computer-assisted studies of molecular structure and genotoxic activity by pattern recognition techniques.

P. Jurs, T. Stouch, 1985, Environmental health perspectives.

In silico ADME/Tox: why models fail

Yi Li, Stephen R. Johnson, Terry R. Stouch, 2003, J. Comput. Aided Mol. Des..

Discovery and Development of LX7101, a Dual LIM-Kinase and ROCK Inhibitor for the Treatment of Glaucoma.

Alan G. E. Wilson, N. C. Goodwin, Y. Liu, 2015, ACS medicinal chemistry letters.

Drug-membrane interactions studied by molecular dynamics simulation: size dependence of diffusion.

T R Stouch, D. Bassolino, T. Stouch, 1996, Drug design and discovery.

Human PEPT1 pharmacophore distinguishes between dipeptide transport and binding.

B. Vig, T. Stouch, D. Wall, 2006, Journal of medicinal chemistry.

A novel high-throughput pepT1 transporter assay differentiates between substrates and antagonists.

B. Vig, G. Amidon, T. Stouch, 2004, Molecular pharmaceutics.

Supercomputing Studies of Biomembranes

Terry R. Stouch, Howard E. Alper, Donna Bassolino-Klimas, 1994, Int. J. High Perform. Comput. Appl..

Lipid Membrane Structure and Dynamics Studied by All-Atom Molecular Dynamics Simulations of Hydrated Phospholipid Bilayers

Terry R. Stouch, T. Stouch, 1993 .

Analysis and optimization of structure-based virtual screening protocols. 2. Examination of docked ligand orientation sampling methodology: mapping a pharmacophore for success.

Yi Li, Andrew C Good, Jonathan S Mason, 2003, Journal of molecular graphics & modelling.

Urgency and austerity as drivers of success

Terry R. Stouch, T. Stouch, 2017, Journal of Computer-Aided Molecular Design.

Effects of Switching Functions on the Behavior of Liquid Water in Molecular Dynamics Simulations

Terry R. Stouch, Thomas S. Thacher, K. Lau, 1994 .

Characterization of force fields for lipid molecules: Applications to crystal structures

Terry R. Stouch, Donald E. Williams, Donald E. Williams, 1993, J. Comput. Chem..

Conformational dependence of electrostatic potential derived charges of a lipid headgroup: Glycerylphosphorylcholine

Terry R. Stouch, Donald E. Williams, T. Stouch, 1992 .

An assessment of protein-ligand binding site polarizability.

A. Nayeem, T. Stouch, S. Krystek, 2003, Biopolymers.

Permeation of Lipid Membranes: Molecular Dynamics Simulations

T. Stouch, 2002 .

Structural and Dynamic Properties of a .beta.-Hairpin-Forming Linear Peptide. 2. 13C NMR Relaxation Analysis

R. Bruccoleri, K. Constantine, M. Friedrichs, 1995 .

Simulations of lipid crystals: Characterization of potential energy functions and parameters for lecithin molecules

Keith B. Ward, Terry R. Stouch, Arnold T. Hagler, 1991 .

The errors of our ways: taking account of error in computer-aided drug design to build confidence intervals for our next 25 years

Terry R. Stouch, T. Stouch, 2012, Journal of Computer-Aided Molecular Design.

Conformational dependence of electrostatic potential‐derived charges: Studies of the fitting procedure

Donald E. Williams, Terry R. Stouch, Donald E. Williams, 1993, J. Comput. Chem..

Editorial

Peter Willett, Terry R. Stouch, P. Willett, 2007, J. Comput. Aided Mol. Des..

A simple method for the representation, quantification, and comparison of the volumes and shapes of chemical compounds

Terry R. Stouch, Peter C. Jurs, P. Jurs, 1986, J. Chem. Inf. Comput. Sci..

Computer-assisted studies of molecular structure and carcinogenic activity.

Terry R. Stouch, Douglas R. Henry, Peter C. Jurs, 1983, Fundamental and applied toxicology : official journal of the Society of Toxicology.

Computer-assisted studies of molecular structure and genotoxic activity by pattern recognition techniques.

P. Jurs, T. Stouch, 1985, Environmental health perspectives.

Monte Carlo studies of the classifications made by nonparametric linear discriminant functions

Terry R. Stouch, Peter C. Jurs, P. Jurs, 1985, J. Chem. Inf. Comput. Sci..

Outcome of a workshop on applications of protein models in biomedical research.

Roland L. Dunbrack, David T. Jones, M. Levitt, 2009, Structure.