Alpeshkumar K. Malde - researchr alias

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Viewing Publication 1 - 10 from 10

2024

Permeability of Dermatological Solutes through the Short Periodicity Phase of Human Stratum Corneum Lipid BilayersAfshin Zamani Zakaria, Alpeshkumar K. Malde, Tim Gould. jcisd, 64(1):276-288, January 2024. [doi]

2018

Effect of Binding on Enantioselectivity of Epoxide HydrolaseJulian Zaugg, Yosephine Gumulya, Mikael Bodén, Alan E. Mark, Alpeshkumar K. Malde. jcisd, 58(3):630-640, 2018. [doi]

2017

Learning epistatic interactions from sequence-activity data to predict enantioselectivityJulian Zaugg, Yosephine Gumulya, Alpeshkumar K. Malde, Mikael Bodén. jcamd, 31(12):1085-1096, 2017. [doi]

2014

Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpiesKatarzyna B. Koziara, Martin Stroet, Alpeshkumar K. Malde, Alan E. Mark. jcamd, 28(3):221-233, 2014. [doi]

2012

Charge Group Partitioning in Biomolecular SimulationStefan Canzar, Mohammed El-Kebir, René Pool, Khaled M. Elbassioni, Alpeshkumar K. Malde, Alan E. Mark, Daan P. Geerke, Leen Stougie, Gunnar W. Klau. recomb 2012: 29-43 [doi]

2011

Challenges in the determination of the binding modes of non-standard ligands in X-ray crystal complexesAlpeshkumar K. Malde, Alan E. Mark. jcamd, 25(1):1-12, 2011. [doi]

2009

Local Indices for Similarity Analysis (LISA) - A 3D-QSAR Formalism Based on Local Molecular SimilarityJitender Verma, Alpeshkumar K. Malde, Santosh A. Khedkar, Radhakrishnan P. Iyer, Evans C. Coutinho. jcisd, 49(12):2695-2707, 2009. [doi]

2008

A comprehensive analysis of the thermodynamic events involved in ligand-receptor binding using CoRIA and its variantsJitender Verma, Vijay M. Khedkar, Arati Prabhu, Santosh A. Khedkar, Alpeshkumar K. Malde, Evans C. Coutinho. jcamd, 22(2):91-104, 2008. [doi]

2007

Streptococcus pneumoniae Using Docking, 3D-QSAR, and de Novo DesignSantosh A. Khedkar, Alpeshkumar K. Malde, Evans C. Coutinho. jcisd, 47(5):1839-1846, 2007. [doi]

2006

Comparative residue interaction analysis (CoRIA): a 3D-QSAR approach to explore the binding contributions of active site residues with ligandsPrasanna A. Datar, Santosh A. Khedkar, Alpeshkumar K. Malde, Evans C. Coutinho. jcamd, 20(6):343-360, 2006. [doi]

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