R. Bohacek

发表

Probing the conformational space available to inhibitors in the thermolysin active site using Monte Carlo/energy minimization techniques

W. Guida, M. Erion, R. Bohacek, 1992 .

The art and practice of structure‐based drug design: A molecular modeling perspective

W. Guida, R. Bohacek, C. McMartin, 1996, Medicinal research reviews.

Modern computational chemistry and drug discovery: structure generating programs.

R. Bohacek, C. McMartin, Colin McMartin, 1997, Current opinion in chemical biology.

Multiple Highly Diverse Structures Complementary to Enzyme Binding Sites: Results of Extensive Application of a de Novo Design Method Incorporating Combinatorial Growth

Regine Bohacek, R. Bohacek, C. McMartin, 1994 .

Aspartic protease inhibitors designed from computer-generated templates bind as predicted.

R S Bohacek, R. Bohacek, K. Satyshur, 2001, Organic letters.

Solvent effects on the conformation of cyclo(-D-Trp-D-Asp-Pro-D-Val-Leu-). An NMR spectroscopy and molecular modeling study.

W. Guida, R. Bohacek, X. Zhang, 2009, International journal of peptide and protein research.

SAR of Carbon‐Linked, 2‐Substituted Purines: Synthesis and Characterization of AP23451 as a novel Bone‐Targeted Inhibitor of Src Tyrosine Kinase With In Vivo Anti‐Resorptive Activity

R. Bohacek, L. Xing, B. Boyce, 2008, Chemical biology & drug design.

Discovery of potent and selective SH2 inhibitors of the tyrosine kinase ZAP-70.

R S Bohacek, T K Sawyer, C. Eyermann, 1999, Journal of medicinal chemistry.

Identification of dipeptidyl nitriles as potent and selective inhibitors of cathepsin B through structure-based drug design.

R. Bohacek, H. Zhou, K. Clark, 2001, Journal of medicinal chemistry.

INHIBITION OF MEVALONATE 5-PYROPHOSPHATE DECARBOXYLASE BY A PROLINE-CONTAINING TRANSITION STATE ANALOG

R. Bohacek, E. Ku, I. Vlattas, 1996 .

An efficient synthesis of a 4'-phosphonodifluoromethyl-3'-formyl-phenylalanine containing SRC SH2 ligand.

D. Holt, R. Bohacek, M. Botfield, 1999, Bioorganic & medicinal chemistry letters.

Structural Basis of Src Tyrosine Kinase Inhibition with a New Class of Potent and Selective Trisubstituted Purine‐based Compounds

Susan Adams, William Shakespeare, Thilo Stehle, 2006, Chemical biology & drug design.

Novel bone-targeted Src tyrosine kinase inhibitor drug discovery.

R. Bohacek, T. Sawyer, W. Shakespeare, 2003, Current opinion in drug discovery & development.

SRC homology-2 inhibitors: peptidomimetic and nonpeptide.

C. Eyermann, R. Bohacek, T. Sawyer, 2002, Mini reviews in medicinal chemistry.

Bone-targeted Src kinase inhibitors: novel pyrrolo- and pyrazolopyrimidine analogues.

R. Bohacek, T. Sawyer, W. Shakespeare, 2003, Bioorganic & medicinal chemistry letters.

Meta-substituted benzofused macrocyclic lactams as zinc metalloprotease inhibitors.

R. Bohacek, C. McMartin, G. Ksander, 1997, Journal of medicinal chemistry.

Structure-based design and synthesis of a novel class of Src SH2 inhibitors.

D. Holt, M. Hatada, R. Bohacek, 1999, Bioorganic & medicinal chemistry letters.

Synthesis of novel cyclic protease inhibitors using Grubbs olefin metathesis.

R. Bohacek, D. Rich, A. Ripka, 1998, Bioorganic & medicinal chemistry letters.

Design and synthesis of unsymmetrical peptidyl urea inhibitors of aspartic peptidases.

R. Bohacek, K. Satyshur, D. Rich, 2001, Organic letters.

A novel phosphotyrosine mimetic 4'-carboxymethyloxy-3'-phosphonophenylalanine (Cpp): exploitation in the design of nonpeptide inhibitors of pp60(Src) SH2 domain.

C. Eyermann, M. Hatada, S. Violette, 2001, Bioorganic & medicinal chemistry letters.

Activity of dual SRC-ABL inhibitors highlights the role of BCR/ABL kinase dynamics in drug resistance.

Piotr Sliz, Mohammad Azam, Tomi K Sawyer, 2006, Proceedings of the National Academy of Sciences of the United States of America.

Inhibition of wild-type and mutant Bcr-Abl by AP23464, a potent ATP-based oncogenic protein kinase inhibitor: implications for CML.

T. Clackson, R. Bohacek, B. Druker, 2004, Blood.

Bone-targeted Src SH2 inhibitors block Src cellular activity and osteoclast-mediated resorption.

R. Baron, R. Rickles, S. Violette, 2001, Bone.

Novel protein kinase inhibitors: SMART drug design technology.

R. Bohacek, T. Sawyer, W. Shakespeare, 2003, BioTechniques.

SMART Drug Design: Novel Phosphopeptide and ATP Mimetic-Based Small Molecule Inhibitors of the Oncogenic Protein Kinase pp60 src (Src)

R. Bohacek, T. Sawyer, W. Shakespeare, 2005 .

Structure-based design of novel bicyclic nonpeptide inhibitors for the src SH2 domain.

M. Hatada, S. Violette, R. Bohacek, 2000, Journal of medicinal chemistry.

A Src SH2 selective binding compound inhibits osteoclast-mediated resorption.

D. Holt, R. Baron, R. Rickles, 2000, Chemistry & biology.

Structure-based design of an osteoclast-selective, nonpeptide src homology 2 inhibitor with in vivo antiresorptive activity.

M. Hatada, S. Violette, R. Bohacek, 2000, Proceedings of the National Academy of Sciences of the United States of America.

Three-Dimensional Models of ACE and NEP Inhibitors and Their Use in the Design of Potent Dual ACE/NEP Inhibitors

Regine Bohacek, R. Bohacek, C. McMartin, 1996 .

Accurate binding site models can be derived from low quality PDB files using an empirical geometry based force field

Colin McMartin, Regine Bohacek, R. Bohacek, 2013 .

Tiletamine is a potent inhibitor of N-methyl-aspartate-induced depolarizations in rat hippocampus and striatum.

R. Fisher, R. Bohacek, J. Lehmann, 1987, The Journal of pharmacology and experimental therapeutics.

QXP: Powerful, rapid computer algorithms for structure-based drug design

Colin McMartin, Regine S. Bohacek, R. Bohacek, 1997, J. Comput. Aided Mol. Des..

Definition and display of steric, hydrophobic, and hydrogen-bonding properties of ligand binding sites in proteins using Lee and Richards accessible surface: validation of a high-resolution graphical tool for drug design.

R S Bohacek, R. Bohacek, C. McMartin, 1992, Journal of medicinal chemistry.

Bone-targeted 2,6,9-trisubstituted purines: novel inhibitors of Src tyrosine kinase for the treatment of bone diseases.

R. Bohacek, T. Sawyer, W. Shakespeare, 2003, Bioorganic & medicinal chemistry letters.

Flexible matching of test ligands to a 3D pharmacophore using a molecular superposition force field: Comparison of predicted and experimental conformations of inhibitors of three enzymes

Colin McMartin, Regine S. Bohacek, R. Bohacek, 1995, J. Comput. Aided Mol. Des..

Structure-based design of AP23573, a phosphorus-containing analog of rapamycin for anti-tumor therapy.

L. Rozamus, T. Clackson, R. Bohacek, 2004 .

Using structural information for the creative design of molecules

Colin McMartin, Regine S. Bohacek, R. Bohacek, 1999 .

X-Ray structure of citrate bound to Src SH2 leads to a high-affinity, bone-targeted Src SH2 inhibitor.

M. Hatada, S. Violette, R. Bohacek, 2001, Journal of medicinal chemistry.

Structure-based design of novel nonpeptide inhibitors of the Src SH2 domain:phosphotyrosine mimetics exploiting multifunctional group replacement chemistry.

C. Eyermann, R. Bohacek, T. Sawyer, 2003, Biopolymers.

A rapid method for the computation, comparison and display of molecular volumes.

R S Bohacek, W C Guida, W. Guida, 1989, Journal of molecular graphics.

Bone-targeted pyrido[2,3-d]pyrimidin-7-ones: potent inhibitors of Src tyrosine kinase as novel antiresorptive agents.

S. Violette, R. Bohacek, T. Sawyer, 2003, Bioorganic & medicinal chemistry letters.