Alpeshkumar K. Malde

According to our database, Alpeshkumar K. Malde authored at least 10 papers between 2006 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

Permeability of Dermatological Solutes through the Short Periodicity Phase of Human Stratum Corneum Lipid Bilayers.

Afshin Zamani Zakaria, Alpeshkumar K. Malde, Tim Gould

J. Chem. Inf. Model., January, 2024

2018

Effect of Binding on Enantioselectivity of Epoxide Hydrolase.

Julian Zaugg, Yosephine Gumulya, Mikael Bodén, Alan E. Mark, Alpeshkumar K. Malde

J. Chem. Inf. Model., 2018

2017

Learning epistatic interactions from sequence-activity data to predict enantioselectivity.

Julian Zaugg, Yosephine Gumulya, Alpeshkumar K. Malde, Mikael Bodén

J. Comput. Aided Mol. Des., 2017

2014

Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies.

Katarzyna B. Koziara, Martin Stroet, Alpeshkumar K. Malde, Alan E. Mark

J. Comput. Aided Mol. Des., 2014

2012

Charge Group Partitioning in Biomolecular Simulation.

Stefan Canzar, Mohammed El-Kebir, René Pool, Khaled M. Elbassioni, Alpeshkumar K. Malde, Alan E. Mark, Daan P. Geerke, Leen Stougie, Gunnar W. Klau

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.

Alpeshkumar K. Malde, Alan E. Mark

J. Comput. Aided Mol. Des., 2011

2009

Local Indices for Similarity Analysis (LISA) - A 3D-QSAR Formalism Based on Local Molecular Similarity.

Jitender Verma, Alpeshkumar K. Malde, Santosh A. Khedkar, Radhakrishnan P. Iyer, Evans C. Coutinho

J. Chem. Inf. Model., 2009

2008

A comprehensive analysis of the thermodynamic events involved in ligand-receptor binding using CoRIA and its variants.

Jitender Verma, Vijay M. Khedkar, Arati Prabhu, Santosh A. Khedkar, Alpeshkumar K. Malde, Evans C. Coutinho

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.

Santosh A. Khedkar, Alpeshkumar K. Malde, Evans C. Coutinho

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.

Prasanna A. Datar, Santosh A. Khedkar, Alpeshkumar K. Malde, Evans C. Coutinho

J. Comput. Aided Mol. Des., 2006