Alpeshkumar K. Malde

According to our database1, Alpeshkumar K. Malde authored at least 9 papers between 2006 and 2018.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Other 

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Online presence:

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Bibliography

2018
Effect of Binding on Enantioselectivity of Epoxide Hydrolase.
J. Chem. Inf. Model., 2018

2017
Learning epistatic interactions from sequence-activity data to predict enantioselectivity.
J. Comput. Aided Mol. Des., 2017

2014
Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies.
J. Comput. Aided Mol. Des., 2014

2012
Charge Group Partitioning in Biomolecular Simulation.
Proceedings of the Research in Computational Molecular Biology, 2012

2011
Challenges in the determination of the binding modes of non-standard ligands in X-ray crystal complexes.
J. Comput. Aided Mol. Des., 2011

2009
Local Indices for Similarity Analysis (LISA) - A 3D-QSAR Formalism Based on Local Molecular Similarity.
J. Chem. Inf. Model., 2009

2008
A comprehensive analysis of the thermodynamic events involved in ligand-receptor binding using CoRIA and its variants.
J. Comput. Aided Mol. Des., 2008

2007
Design of Inhibitors of the MurF Enzyme of <i>Streptococcus pneumoniae</i> Using Docking, 3D-QSAR, and de Novo Design.
J. Chem. Inf. Model., 2007

2006
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., 2006


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