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Designing a New Diels–Alderase: A Combinatorial, Semirational Approach Including Dynamic Optimization. JOURNAL ARTICLE published 22 August 2011 in Journal of Chemical Information and Modeling |
Structural Perspective on the Direct Inhibition Mechanism of EGCG on Mammalian Histidine Decarboxylase and DOPA Decarboxylase JOURNAL ARTICLE published 23 January 2012 in Journal of Chemical Information and Modeling |
Three-Dimensional Structure Database of Natural Metabolites (3DMET): A Novel Database of Curated 3D Structures JOURNAL ARTICLE published 25 March 2013 in Journal of Chemical Information and Modeling |
Protein Structure Refinement of CASP Target Proteins Using GNEIMO Torsional Dynamics Method JOURNAL ARTICLE published 24 February 2014 in Journal of Chemical Information and Modeling |
Substructure Mining Using Elaborate Chemical Representation JOURNAL ARTICLE published 1 March 2006 in Journal of Chemical Information and Modeling |
An Improved Approximation to the Estimation of the Critical F Values in Best Subset Regression JOURNAL ARTICLE published 1 January 2007 in Journal of Chemical Information and Modeling |
Membrane Switch Hypothesis. 1. Cell Density Influences Lateral Domain Structure of Tumor Cell Membranes JOURNAL ARTICLE published 1 November 2005 in Journal of Chemical Information and Modeling |
Membrane Switch Hypothesis. 2. Domain Structure of Phagocytes in Horses with Recurrent Airway Obstruction JOURNAL ARTICLE published 1 November 2005 in Journal of Chemical Information and Modeling |
Models for Predicting IKKA and IKKB Blockade JOURNAL ARTICLE published 21 December 2012 in Journal of Chemical Information and Modeling |
Temperature Accelerated Sliced Sampling to Probe Ligand Dissociation from Protein JOURNAL ARTICLE published 28 August 2023 in Journal of Chemical Information and Modeling Research funded by Science and Engineering Research Board (CRG/2019/001276) |
Identifying Metal Binding Sites in Proteins Using Homologous Structures, the MADE Approach JOURNAL ARTICLE published 28 August 2023 in Journal of Chemical Information and Modeling Research funded by Javna Agencija za Raziskovalno Dejavnost RS (J1-1715,J1-2471,J1-4398,J1-4414,J3-4497,J3-4498,J7-4638,L2- 3175,L2-4430,P1-0403,P2-0046,P2-0438) |
Retro-Leapfrog and Related Retro Map Operations JOURNAL ARTICLE published 1 November 2006 in Journal of Chemical Information and Modeling |
The Merck Index: An Encyclopedia of Chemicals, Drugs, and Biologicals, Fourteenth Edition Edited by Maryadele J. O'Neil, Patricia E. Heckelman, Cherie B. Koch, and Kristin J. Roman. Merck & Co., Inc.: Whitehouse Station, New Jersey, 2006. xiv + 1756 pp. + tables and indexes; includes CD and Internet access. ISBN 978-0-911910-00-1. Hardcover. U.S. $125.00. JOURNAL ARTICLE published 1 March 2007 in Journal of Chemical Information and Modeling |
Virtual Screening of Abl Inhibitors from Large Compound Libraries by Support Vector Machines JOURNAL ARTICLE published 28 September 2009 in Journal of Chemical Information and Modeling |
On the Dependence of a Characterization of Proteomics Maps on the Number of Protein Spots Considered JOURNAL ARTICLE published 1 January 2006 in Journal of Chemical Information and Modeling |
Molecular Insights into 14-Membered Macrolides Using the MM-PBSA Method JOURNAL ARTICLE published 22 June 2009 in Journal of Chemical Information and Modeling |
Data-Driven Prediction of Configurational Stability of Molecule-Adsorbed Heterogeneous Catalysts JOURNAL ARTICLE published 9 October 2023 in Journal of Chemical Information and Modeling Research funded by Korea Research Institute of Chemical Technology (KK2351-10) |
EMBM − A New Enzyme Mechanism-Based Method for Rational Design of Chemical Sites of Covalent Inhibitors JOURNAL ARTICLE published 27 December 2010 in Journal of Chemical Information and Modeling |
Efficient Calculation of Molecular Properties from Simulation Using Kernel Molecular Dynamics JOURNAL ARTICLE published 1 August 2008 in Journal of Chemical Information and Modeling |
A Dominant Factor for Structural Classification of Protein Crystals JOURNAL ARTICLE published 24 August 2015 in Journal of Chemical Information and Modeling |