Alpeshkumar K Malde

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 17

Top Venues

Journal of chemical information and modeling

The journal of physical chemistry. B

Journal of chemical theory and computation

Angewandte Chemie (International ed. in English)

University of Queensland

University of Mumbai (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Queensland

Australia

Senior Research Fellow :: School of Chemistry and Molecular Biosciences

University of Queensland

Australia

ARC Austrlian PostDoctoral Fellow (ARC-APD) :: School of Chemistry and Molecular Biosciences

University of Queensland

Australia

PostDoctoral Fellow :: School of Chemistry and Molecular Biosciences

National Institute of Pharmaceutical Education and Research

India

CSIR Senior Research Fellow (NMITLI project on Bioinformatics) :: Department of Medicinal Chemistry

Dr Reddy's Laboratories Ltd

India

Computational Chemist :: Dr Reddy's Research Foundation

Education History

University of Mumbai

India

PHD :: Bombay College of Pharmacy

Publications

Martin Stroet, Martina Setz, Thomas Lee, Alpeshkumar K Malde, Glen van den Bergen, Peter Sykacek, Chris Oostenbrink, Alan E Mark
On the Validation of Protein Force Fields Based on Structural Criteria. The journal of physical chemistry. B 128 (19) (2024)
Martin Stroet, Martina Setz, Thomas Lee, Alpeshkumar K Malde, Glen van den Bergen, Peter Sykacek, Chris Oostenbrink, Alan E Mark
On the Validation of Protein Force Fields Based on Structural Criteria. The journal of physical chemistry. B 128 (19) (2024)
Martin Stroet, Martina Setz, Thomas Lee, Alpeshkumar K Malde, Glen van den Bergen, Peter Sykacek, Chris Oostenbrink, Alan E Mark
On the Validation of Protein Force Fields Based on Structural Criteria. The journal of physical chemistry. B (2024)
Martin Stroet, Martina Setz, Thomas Lee, Alpeshkumar K Malde, Glen van den Bergen, Peter Sykacek, Chris Oostenbrink, Alan E Mark
On the Validation of Protein Force Fields Based on Structural Criteria. The journal of physical chemistry. B 128 (19) (2024)
Afshin Zamani Zakaria, Alpeshkumar K Malde, Timothy Gould
Permeability of Dermatological Solutes through the Short Periodicity Phase of Human Stratum Corneum Lipid Bilayers. Journal of chemical information and modeling 64 (1) (2023)
Anil Kumar Gorle, Alpeshkumar K Malde, Chih-Wei Chang, Premraj Rajaratnam, Mark von Itzstein, Susan J Berners-Price, Nicholas P Farrell
Probing Disaccharide Binding to Triplatin as Models for Tumor Cell Heparan Sulfate (GAG) Interactions. Inorganic chemistry (2023)
Afshin Zamani Zakaria, Alpeshkumar K Malde, Timothy Gould
Permeability of Dermatological Solutes through the Short Periodicity Phase of Human Stratum Corneum Lipid Bilayers. Journal of chemical information and modeling 64 (1) (2023)
Afshin Zamani Zakaria, Alpeshkumar K Malde, Timothy Gould
Permeability of Dermatological Solutes through the Short Periodicity Phase of Human Stratum Corneum Lipid Bilayers. Journal of chemical information and modeling 64 (1) (2023)
Afshin Zamani Zakaria, Alpeshkumar K Malde, Timothy Gould
Permeability of Dermatological Solutes through the Short Periodicity Phase of Human Stratum Corneum Lipid Bilayers. Journal of chemical information and modeling (2023)
Max T B Clabbers, Susannah Holmes, Timothy W Muusse, Parimala R Vajjhala, Sara J Thygesen, Alpeshkumar K Malde, Dominic J B Hunter, Tristan I Croll, Leonie Flueckiger, Jeffrey D Nanson, Md Habibur Rahaman, Andrew L Aquila, Mark S Hunter, Mengning Liang, Chun Hong Yoon, Jingjing Zhao, Nadia A Zatsepin, Brian Abbey, Emma Sierecki, Yann Gambin, Katryn J Stacey, Connie Darmanin, Bostjan Kobe, Hongyi Xu, Thomas Ve
MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography. Nature communications 12 (1) (2021)
Shaobo Zhang, Cheng Li, Robert G Gilbert, Alpeshkumar K Malde
Understanding the Binding of Starch Fragments to Granule-Bound Starch Synthase. Biomacromolecules 22 (11) (2021)
Alpeshkumar K Malde, Martin Stroet, Bertrand Caron, Koen M Visscher, Alan E Mark
Predicting the Prevalence of Alternative Warfarin Tautomers in Solution. Journal of chemical theory and computation 14 (8) (2018)
Julian Zaugg, Yosephine Gumulya, Mikael Boden, Alan E Mark, Alpeshkumar K Malde
Effect of Binding on Enantioselectivity of Epoxide Hydrolase. Journal of chemical information and modeling 58 (3) (2018)
Martin Stroet, Bertrand Caron, Koen M Visscher, Daan P Geerke, Alpeshkumar K Malde, Alan E Mark
Automated Topology Builder Version 3.0: Prediction of Solvation Free Enthalpies in Water and Hexane. Journal of chemical theory and computation 14 (11) (2018)
Claire Tonnelé, Martin Stroet, Bertrand Caron, Andrew J Clulow, Ravi C R Nagiri, Alpeshkumar K Malde, Paul L Burn, Ian R Gentle, Alan E Mark, Benjamin J Powell
Elucidating the Spatial Arrangement of Emitter Molecules in Organic Light-Emitting Diode Films. Angewandte Chemie (International ed. in English) 56 (29) (2017)
Julian Zaugg, Yosephine Gumulya, Alpeshkumar K Malde, Mikael Boden
Learning epistatic interactions from sequence-activity data to predict enantioselectivity. Journal of computer-aided molecular design 31 (12) (2017)
Martin Stroet, Katarzyna B Koziara, Alpeshkumar K Malde, Alan E Mark
Optimization of Empirical Force Fields by Parameter Space Mapping: A Single-Step Perturbation Approach. Journal of chemical theory and computation 13 (12) (2017)

Alpeshkumar K Malde.css-eqlu8i{font-size:small;padding-left:4px;}

Publication Activity (10 Years)

Top Topics

Top Venues

Alpeshkumar K Malde