Structure-Based and Ligand-Based Drug Design for HER 2 Receptor

Computational Anti-AIDS Drug Design Based on the Analysis of the Specific Interactions Between Immunophilins and the HIV-1 gp120 V3 Loop. Application to the FK506-Binding Protein

(2012) Alexander M. Andrianov   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Molecular Dynamics Simulations to Gain Insights into the Stability and Morphologies of K3 Oligomers from β2-microglobulin

(2012) Po-Sheng Fang et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Conserved Water Mediated H-bonding Dynamics of Inhibitor, Cofactor, Asp 364 and Asn 303 in Human IMPDH II

(2012) Hridoy R. Bairagya et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Disruption Mechanism in the Helix of SPF Peptide by Interchanging E5 and K10 Residues: Inference from Molecular Dynamics Study

(2012) P. N. Sunilkumar et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Molecular Modeling Studies of the Interaction BetweenPlasmodium falciparumHslU and HslV Subunits

(2012) Sangeetha Subramaniam et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Immunophilins and HIV-1 V3 Loop For Structure-Based Anti-AIDS Drug Design

(2012) Alexander M. Andrianov   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Molecular Dynamics Simulations to Investigate the Structural Stability and Aggregation Behavior of the GGVVIA Oligomers Derived from Amyloid β Peptide

(2012) Liang-Kai Chang et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Weighted Equation and Rules—A Novel Concept for Evaluating Protein-Ligand Interaction

(2012) Calvin Yu-Chian Chen   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Computer-aided Drug Design of Novel PLA2Inhibitor Candidates for Treatment of Snakebite

(2012) Lorane Izabel da S. Hage-Melim et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

An Insight to the Dynamics of Conserved Water Molecular Triad in IMPDH II (Human): Recognition of Cofactor and Substrate to Catalytic Arg 322

(2012) Hridoy R. Bairagya et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Conformational Dynamics of Human AP Endonuclease in Base Excision and Nucleotide Incision Repair Pathways

(2012) N. A. Timofeyeva et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Ligand-Based Dual Target Drug Design for H1N1: Swine Flu- A Preliminary First Study

(2012) Chien-Yu Chen et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Molecular Dynamics Simulations to Investigate the Aggregation Behaviors of the Aß(17–42) Oligomers

(2012) Jian-Hua Zhao et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Discovery of potent inhibitors for phosphodiesterase 5 by virtual screening and pharmacophore analysis

(2009) Chien-yu Chen et al.   ACTA PHARMACOLOGICA SINICA

Functional Genomic Analysis Identified Epidermal Growth Factor Receptor Activation as the Most Common Genetic Event in Oral Squamous Cell Carcinoma

(2009) J. J.-C. Sheu et al.   CANCER RESEARCH

Design, Synthesis, and Docking Studies of Peptidomimetics Based on HER2-Herceptin Binding Site with Potential Antiproliferative Activity Against Breast Cancer Cell lines

(2009) Seetharama Satyanarayanajois et al.   Chemical Biology & Drug Design

Current Paradigms for the Use of HER2-Targeted Therapy in Early-Stage Breast Cancer

(2009) Philippe L. Bedard et al.   Clinical Breast Cancer

Tyrosine Kinase Inhibitors – A Review on Pharmacology, Metabolism and Side Effects

(2009) Jorg Hartmann et al.   CURRENT DRUG METABOLISM

Computational screening and design of traditional Chinese medicine (TCM) to block phosphodiesterase-5

(2009) Calvin Yu-Chian Chen   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Pharmacoinformatics approach for mPGES-1 in anti-inflammation by 3D-QSAR pharmacophore mapping

(2009) Calvin Yu-Chian Chen   Journal of the Taiwan Institute of Chemical Engineers

De novo design of novel selective COX-2 inhibitors: From virtual screening to pharmacophore analysis

(2009) Calvin Yu-Chian Chen   Journal of the Taiwan Institute of Chemical Engineers

Chemoinformatics and pharmacoinformatics approach for exploring the GABA-A agonist from Chinese herb suanzaoren

(2009) Calvin Yu-Chian Chen   Journal of the Taiwan Institute of Chemical Engineers

Puerariae radix isoflavones and their metabolites inhibit growth and induce apoptosis in breast cancer cells

(2008) Ying-Ju Lin et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Down-regulation of Myeloid Cell Leukemia-1 through Inhibiting Erk/Pin 1 Pathway by Sorafenib Facilitates Chemosensitization in Breast Cancer

(2008) Q. Ding et al.   CANCER RESEARCH