Akash Khandelwal

发表

Exhaustive Verification of Weak Reconstruction For Self Complementary Graphs pdf

S. K. Gupta, Sahil Singla, Akash Khandelwal, 2010, ArXiv.

Improved estimation of ligand–macromolecule binding affinities by linear response approach using a combination of multi-mode MD simulation and QM/MM methods

Akash Khandelwal, Stefan Balaz, Akash Khandelwal, 2007, J. Comput. Aided Mol. Des..

Reconstruction Conjecture for Graphs Isomorphic to Cube of a Tree pdf

S. K. Gupta, Akash Khandelwal, S. K. Gupta, 2012, ArXiv.

Rigorous Treatment of Multispecies Multimode Ligand-Receptor Interactions in 3D-QSAR: CoMFA Analysis of Thyroxine Analogs Binding to Transthyretin

Akash Khandelwal, Senthil Natesan, Viera Lukacova, 2011, J. Chem. Inf. Model..

Prediction of hERG Potassium Channel Blockade Using kNN-QSAR and Local Lazy Regression Methods

Akash Khandelwal, Sitarama B. Gunturi, Kotu Archana, 2008 .

Computational Models to Assign Biopharmaceutics Drug Disposition Classification from Molecular Structure

Sean Ekins, James E. Polli, Peter W. Swaan, 2007, Pharmaceutical Research.

Ultimate Weapon for Traffic Police

Akash Khandelwal, Vibhor Gulati, 2011 .

In silico ADME modelling 2: computational models to predict human serum albumin binding affinity using ant colony systems.

Akash Khandelwal, Ramamurthi Narayanan, Akash Khandelwal, 2006, Bioorganic & medicinal chemistry.

Simulation‐Based Predictions of Binding Affinities of Matrix Metalloproteinase Inhibitors

Soumyendu Raha, Daniel M. Kroll, Akash Khandelwal, 2004 .

Machine learning methods and docking for predicting human pregnane X receptor activation.

Sean Ekins, Akash Khandelwal, Peter W Swaan, 2008, Chemical research in toxicology.

Processing multimode binding situations in simulation-based prediction of ligand-macromolecule affinities.

Soumyendu Raha, Akash Khandelwal, Viera Lukacova, 2005, The journal of physical chemistry. A.

Cellular Quantitative Structure–Activity Relationship (Cell-QSAR): Conceptual Dissection of Receptor Binding and Intracellular Disposition in Antifilarial Activities of Selwood Antimycins

Akash Khandelwal, Viera Lukacova, Rajesh Subramaniam, 2012, Journal of medicinal chemistry.

A Fast Method for Testing Covariates in Population PK/PD Models

Andrew C. Hooker, Mats O. Karlsson, E. Niclas Jonsson, 2011, The AAPS Journal.

QM/MM linear response method distinguishes ligand affinities for closely related metalloproteins

Akash Khandelwal, Akash Khandelwal, S. Balaz, 2007, Proteins.