- Publication
- Sep 8, 2015
Synthesis, biological evaluation, hydration site thermodynamics, and chemical reactivity analysis of ‘-keto substituted peptidomimetics for the inhibition of Plasmodium falciparum
Weldon, et al. Bioorg. Med. Chem. Lett., 2014, 24(5), 1274-1279- Publication
- Sep 8, 2015
Synthesis of Novel Thrombin Inhibitors. Use of Ring-Closing Metathesis Reactions for Synthesis of P2 Cyclopentene- and Cyclohexenedicarboxylic Acid Derivatives
Thorstensson, et al. J. Med. Chem., 2003, 46, 1165-1179- Publication
- Sep 8, 2015
Contributions of water transfer energy to protein-ligand association and dissociation barriers: WaterMap analysis of a series of p38′ MAP kinase inhibitors
Pearlstein, et al. Proteins, 2013, 81(9), 1509-1526- Publication
- Sep 8, 2015
Rational Design, Synthesis, and Pharmacological Evaluation of 2-Azanorbornane-3-exo,5-endo-dicarboxylic Acid: A Novel Conformationally Restricted Glutamic Acid Analogue
Bunch, et al. J. Org. Chem., 2003, 68, 1489-1495- Publication
- Sep 8, 2015
Receptor- and ligand-based study of fullerene analogues: Comprehensive computational approach including quantum-chemical, QSAR and molecular docking simulations
Ahmed, et al. Org. Biomol. Chem., 2013, 11(35), 5798-5808- Publication
- Sep 8, 2015
Stereostructure-Activity Studies on Agonists at the AMPA and Kainate Subtypes of Ionotropic Glutamate Receptors
Johansen, et al. Chirality, 2003, 15, 167-179- Publication
- Sep 8, 2015
Illuminating HIV gp120-ligand recognition through computationally-driven optimization of antibody-recruiting molecules
Parker, et al. Chem. Sci., 2014, 5, 2311-2317- Publication
- Sep 8, 2015
Metal-Dependent Inhibition of HIV-1 Integrase
Neamati, et al. J. Med. Chem., 2002, 45, 5661-5670- Publication
- Sep 8, 2015
Fragment-based hit identification: Thinking in 3D
Morley, et al. Drug Discov Today, 2013, 18(23-24), 1221-1227- Publication
- Sep 8, 2015
Selective Agonists at Group II Metabotropic Glutamate Receptors: Synthesis, Stereochemistry, and Molecular Pharmacology of (S)- and (R)-2-Amino-4-(4-hydroxy[1,2,5]thiadiazol-3-yl) butyric Acid
lausen, et al. J. Med. Chem., 2002, 45, 4240-4245- Publication
- Sep 8, 2015
Bioguided discovery and pharmacophore modeling of the mycotoxic indole diterpene alkaloids penitrems as breast cancer proliferation, migration, and invasion inhibitors
Sallam, et al. Med. Chem. Commun., 2013, 4, 1360-1369- Publication
- Sep 8, 2015
Solvent Models for Protein-Ligand Binding: Comparison of Implicit Solvent Poisson and Surface Generalized Born Models with Explicit Solvent Simulations
Zhang, et al. J. Comput. Chem., 2001, 22, 591-607Latest insights from Extrapolations blog
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