A Tropsha

发表

Focus-2D: a new approach to the design of targeted combinatorial chemical libraries.

S J Cho, W Zheng, A Tropsha, 1998, Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing.

Identification of the descriptor pharmacophores using variable selection QSAR: applications to database mining.

A Tropsha, W Zheng, A. Tropsha, 2001, Current pharmaceutical design.

QSAR modeling of GPCR ligands: methodologies and examples of applications.

A Tropsha, S X Wang, A. Tropsha, 2006, Ernst Schering Foundation symposium proceedings.

Recent trends in computer-aided drug discovery.

A Tropsha, A. Tropsha, 2000, Current opinion in drug discovery & development.

QSAR Modeling of Datasets with Enantioselective Compounds using Chirality Sensitive Molecular Descriptors

A Tropsha, A. Tropsha, S. Oloff, 2005, SAR and QSAR in environmental research.

Relative binding free energies of peptide inhibitors of HIV-1 protease: the influence of the active site protonation state.

A Tropsha, X Chen, 1995, Journal of medicinal chemistry.

Making sense from antisense: A review of experimental data and developing ideas on sense–antisense peptide recognition

A Tropsha, A. Tropsha, I. Chaiken, 1992, Journal of molecular recognition : JMR.

Rational design of a three‐heptad coiled‐coil protein and comparison by molecular dynamics simulation with the GCN4 coiled coil: Presence of interior three‐center hydrogen bonds

A Tropsha, A. Tropsha, B. W. Erickson, 1994, Protein science : a publication of the Protein Society.

A new approach to protein fold recognition based on Delaunay tessellation of protein structure.

A Tropsha, A. Tropsha, S. Cho, 1997, Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing.

Statistical geometry analysis of proteins: implications for inverted structure prediction.

A Tropsha, A. Tropsha, W. Zheng, 1996, Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing.

Cross-validated R2-guided region selection for comparative molecular field analysis: a simple method to achieve consistent results.

A Tropsha, A. Tropsha, S. Cho, 1995, Journal of medicinal chemistry.

Accurate prediction of the bound conformation of galanthamine in the active site of Torpedo californica acetylcholinesterase using molecular docking.

A Tropsha, D Lamba, A. Tropsha, 2001, Journal of molecular graphics & modelling.

Structure-based alignment and comparative molecular field analysis of acetylcholinesterase inhibitors.

A Tropsha, A. Tropsha, S. Cho, 1996, Journal of medicinal chemistry.

Energetic decomposition of the alpha-helix-coil equilibrium of a dynamic model system.

A Tropsha, J Hermans, L Wang, 1996, Biopolymers.

Application of free energy simulations to the binding of a transition-state-analogue inhibitor to HIV protease.

A Tropsha, A. Tropsha, J. Hermans, 1992, Protein engineering.

QSAR analysis of the toxicity of nitroaromatics in Tetrahymena pyriformis: structural factors and possible modes of action

A Tropsha, A. Tropsha, J. Leszczynski, 2011, SAR and QSAR in environmental research.

Lattice protein folding with two and four‐body statistical potentials

T Schlick, A Tropsha, T. Schlick, 2001, Proteins.