Alpeshkumar K. Malde

Publication Activity (10 Years)

Years Active: 2006-2024
Publications (10 Years): 3

Top Topics

Search Based Testing

Activity Theory

Prediction Algorithm

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Afshin Zamani Zakaria, Alpeshkumar K. Malde, Tim Gould
Permeability of Dermatological Solutes through the Short Periodicity Phase of Human Stratum Corneum Lipid Bilayers. J. Chem. Inf. Model. 64 (1) (2024)
Julian Zaugg, Yosephine Gumulya, Mikael Bodén, Alan E. Mark, Alpeshkumar K. Malde
Effect of Binding on Enantioselectivity of Epoxide Hydrolase. J. Chem. Inf. Model. 58 (3) (2018)
Julian Zaugg, Yosephine Gumulya, Alpeshkumar K. Malde, Mikael Bodén
Learning epistatic interactions from sequence-activity data to predict enantioselectivity. J. Comput. Aided Mol. Des. 31 (12) (2017)
Katarzyna B. Koziara, Martin Stroet, Alpeshkumar K. Malde, Alan E. Mark
Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies. J. Comput. Aided Mol. Des. 28 (3) (2014)
Stefan Canzar, Mohammed El-Kebir, René Pool, Khaled M. Elbassioni, Alpeshkumar K. Malde, Alan E. Mark, Daan P. Geerke, Leen Stougie, Gunnar W. Klau
Charge Group Partitioning in Biomolecular Simulation. RECOMB (2012)
Alpeshkumar K. Malde, Alan E. Mark
Challenges in the determination of the binding modes of non-standard ligands in X-ray crystal complexes. J. Comput. Aided Mol. Des. 25 (1) (2011)
Jitender Verma, Alpeshkumar K. Malde, Santosh A. Khedkar, Radhakrishnan P. Iyer, Evans C. Coutinho
Local Indices for Similarity Analysis (LISA) - A 3D-QSAR Formalism Based on Local Molecular Similarity. J. Chem. Inf. Model. 49 (12) (2009)
Jitender Verma, Vijay M. Khedkar, Arati Prabhu, Santosh A. Khedkar, Alpeshkumar K. Malde, Evans C. Coutinho
A comprehensive analysis of the thermodynamic events involved in ligand-receptor binding using CoRIA and its variants. J. Comput. Aided Mol. Des. 22 (2) (2008)
Santosh A. Khedkar, Alpeshkumar K. Malde, Evans C. Coutinho
Using Docking, 3D-QSAR, and de Novo Design. J. Chem. Inf. Model. 47 (5) (2007)
Prasanna A. Datar, Santosh A. Khedkar, Alpeshkumar K. Malde, Evans C. Coutinho
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) (2006)