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Alpeshkumar K Malde

Showing results (11-20 of 42) with videos related to

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Journal of Molecular Modeling|August 11, 2007
CoMFA study of distamycin analogs binding to the minor-groove of DNA: a unified model for broad-spectrum activitySantosh A Khedkar, Alpeshkumar K Malde, Evans C Coutinho
Journal of Chemical Theory and Computation|December 3, 2015
Stationary Points on the PES of N-Methoxy Peptides and Their Boron Isosteres:  An Ab Initio StudyAlpeshkumar K Malde, Santosh A Khedkar, Evans C Coutinho
Proteins|November 21, 2025
Molecular Dynamics Identify Variances Between Galectin Carbohydrate-Binding Sites That Impact the Binding Site Conformation and Ligand BindingRob Marc Go, Chandan Kishor, Alpeshkumar K Malde, et al.
International Journal of Biological Macromolecules|October 23, 2023
Development of a model for granule-bound starch synthase I activity using free-energy calculationsShaobo Zhang, Xiaolei Fan, Alpeshkumar K Malde, et al.
Biomacromolecules|October 20, 2021
Understanding the Binding of Starch Fragments to Granule-Bound Starch SynthaseShaobo Zhang, Cheng Li, Robert G Gilbert, et al.
Journal of Computer-Aided Molecular Design|January 31, 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, et al.
Medicinal Chemistry (Shariqah (United Arab Emirates))|March 14, 2007
Pharmacophore modeling in drug discovery and development: an overviewSantosh A Khedkar, Alpeshkumar K Malde, Evans C Coutinho, et al.
Chemical Reviews|May 4, 2019
Crystal Structures of Protein-Bound Cyclic PeptidesAlpeshkumar K Malde, Timothy A Hill, Abishek Iyer, et al.
Journal of Chemical Theory and Computation|November 11, 2017
Optimization of Empirical Force Fields by Parameter Space Mapping: A Single-Step Perturbation ApproachMartin Stroet, Katarzyna B Koziara, Alpeshkumar K Malde, et al.
ACS Medicinal Chemistry Letters|June 6, 2014
Missing fragments: detecting cooperative binding in fragment-based drug designPramod C Nair, Alpeshkumar K Malde, Nyssa Drinkwater, et al.
Pageof 5

Showing results (11-20 of 42) with videos related to

Sort By:
Pageof 5
Journal of Molecular Modeling|August 11, 2007
CoMFA study of distamycin analogs binding to the minor-groove of DNA: a unified model for broad-spectrum activitySantosh A Khedkar, Alpeshkumar K Malde, Evans C Coutinho
Journal of Chemical Theory and Computation|December 3, 2015
Stationary Points on the PES of N-Methoxy Peptides and Their Boron Isosteres:  An Ab Initio StudyAlpeshkumar K Malde, Santosh A Khedkar, Evans C Coutinho
Proteins|November 21, 2025
Molecular Dynamics Identify Variances Between Galectin Carbohydrate-Binding Sites That Impact the Binding Site Conformation and Ligand BindingRob Marc Go, Chandan Kishor, Alpeshkumar K Malde, et al.
International Journal of Biological Macromolecules|October 23, 2023
Development of a model for granule-bound starch synthase I activity using free-energy calculationsShaobo Zhang, Xiaolei Fan, Alpeshkumar K Malde, et al.
Biomacromolecules|October 20, 2021
Understanding the Binding of Starch Fragments to Granule-Bound Starch SynthaseShaobo Zhang, Cheng Li, Robert G Gilbert, et al.
Journal of Computer-Aided Molecular Design|January 31, 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, et al.
Medicinal Chemistry (Shariqah (United Arab Emirates))|March 14, 2007
Pharmacophore modeling in drug discovery and development: an overviewSantosh A Khedkar, Alpeshkumar K Malde, Evans C Coutinho, et al.
Chemical Reviews|May 4, 2019
Crystal Structures of Protein-Bound Cyclic PeptidesAlpeshkumar K Malde, Timothy A Hill, Abishek Iyer, et al.
Journal of Chemical Theory and Computation|November 11, 2017
Optimization of Empirical Force Fields by Parameter Space Mapping: A Single-Step Perturbation ApproachMartin Stroet, Katarzyna B Koziara, Alpeshkumar K Malde, et al.
ACS Medicinal Chemistry Letters|June 6, 2014
Missing fragments: detecting cooperative binding in fragment-based drug designPramod C Nair, Alpeshkumar K Malde, Nyssa Drinkwater, et al.
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