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Alpeshkumar K. Malde
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2020 – today
- 2024
- [j9]Afshin Zamani Zakaria
, Alpeshkumar K. Malde
Permeability of Dermatological Solutes through the Short Periodicity Phase of Human Stratum Corneum Lipid Bilayers. J. Chem. Inf. Model. 64(1): 276-288 (2024)
2010 – 2019
- 2018
- [j8]Julian Zaugg
Effect of Binding on Enantioselectivity of Epoxide Hydrolase. J. Chem. Inf. Model. 58(3): 630-640 (2018) - 2017
- [j7]Julian Zaugg
Learning epistatic interactions from sequence-activity data to predict enantioselectivity. J. Comput. Aided Mol. Des. 31(12): 1085-1096 (2017) - 2014
- [j6]Katarzyna B. Koziara, Martin Stroet
Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies. J. Comput. Aided Mol. Des. 28(3): 221-233 (2014) - 2012
- [c1]Stefan Canzar
Charge Group Partitioning in Biomolecular Simulation. RECOMB 2012: 29-43 - 2011
- [j5]Alpeshkumar K. Malde
Challenges in the determination of the binding modes of non-standard ligands in X-ray crystal complexes. J. Comput. Aided Mol. Des. 25(1): 1-12 (2011)
2000 – 2009
- 2009
- [j4]Jitender Verma, Alpeshkumar K. Malde
Local Indices for Similarity Analysis (LISA) - A 3D-QSAR Formalism Based on Local Molecular Similarity. J. Chem. Inf. Model. 49(12): 2695-2707 (2009) - 2008
- [j3]Jitender Verma, Vijay M. Khedkar, Arati Prabhu, Santosh A. Khedkar
A comprehensive analysis of the thermodynamic events involved in ligand-receptor binding using CoRIA and its variants. J. Comput. Aided Mol. Des. 22(2): 91-104 (2008) - 2007
- [j2]Santosh A. Khedkar
Design of Inhibitors of the MurF Enzyme of Streptococcus pneumoniae Using Docking, 3D-QSAR, and de Novo Design. J. Chem. Inf. Model. 47(5): 1839-1846 (2007) - 2006
- [j1]Prasanna A. Datar
Comparative residue interaction analysis (CoRIA): a 3D-QSAR approach to explore the binding contributions of active site residues with ligands. J. Comput. Aided Mol. Des. 20(6): 343-360 (2006)
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