Akash Khandelwal

发表

A combination of docking, QM/MM methods, and MD simulation for binding affinity estimation of metalloprotein ligands.

Akash Khandelwal, V. Lukacova, Dogan Comez, 2005, Journal of medicinal chemistry.

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.

Simulation‐Based Predictions of Binding Affinities of Matrix Metalloproteinase Inhibitors

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

Population Pharmacokinetic Analysis of Bintrafusp Alfa in Different Cancer Types

Y. Vugmeyster, Akash Khandelwal, P. Girard, 2019, Advances in Therapy.

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

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

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

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

Design of high-affinity peptide conjugates with optimized fluorescence quantum yield as markers for small peptide transporter PEPT1 (SLC15A1).

Praveen M. Bahadduri, A. Ray, P. Swaan, 2008, Bioorganic & medicinal chemistry letters.

Selection of the Recommended Phase 2 Dose for Bintrafusp Alfa, a Bifunctional Fusion Protein Targeting TGF‐β and PD‐L1

Y. Vugmeyster, Akash Khandelwal, I. Dussault, 2020, Clinical pharmacology and therapeutics.

Semimechanistic Clearance Models of Oncology Biotherapeutics and Impact of Study Design: Cetuximab as a Case Study

W. Huisinga, Akash Khandelwal, C. Kloft, 2020, CPT: pharmacometrics & systems pharmacology.

Translation of liver stage activity of M5717, a Plasmodium elongation factor 2 inhibitor: from bench to bedside

Akash Khandelwal, P. Alves, Ö. Yalkinoglu, 2022, Malaria journal.

Model-informed approach for risk management of bleeding toxicities for bintrafusp alfa, a bifunctional fusion protein targeting TGF-β and PD-L1

K. Venkatakrishnan, Y. Vugmeyster, Akash Khandelwal, 2022, Cancer Chemotherapy and Pharmacology.

Selection of the recommended phase 2 dose (RP2D) for M7824 (MSB0011359C), a bifunctional fusion protein targeting TGF-β and PD-L1.

Y. Vugmeyster, Akash Khandelwal, J. Gulley, 2018 .

Pharmacometrics Golems: Exposure‐Response Models in Oncology

K. Venkatakrishnan, Akash Khandelwal, J. French, 2022, Clinical pharmacology and therapeutics.

Avelumab Dose Selection for Clinical Studies in Pediatric Patients with Solid Tumors

Y. Vugmeyster, Akash Khandelwal, B. Brockhaus, 2022, Clinical Pharmacokinetics.

Model-Based Characterization of the Bidirectional Interaction Between Pharmacokinetics and Tumor Growth Dynamics in Patients with Metastatic Merkel Cell Carcinoma Treated with Avelumab

Akash Khandelwal, M. Karlsson, S. Jönsson, 2021, Clinical cancer research : an official journal of the American Association for Cancer Research.

Computational Models to Assign Biopharmaceutics Drug Disposition Classification from Molecular Structure

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

Multi-level Analysis of Organic Anion Transporters 1, 3, and 6 Reveals Major Differences in Structural Determinants of Antiviral Discrimination*

P. Swaan, Akash Khandelwal, S. Nigam, 2008, Journal of Biological Chemistry.

New styryl sulfones as anticancer agents.

A. K. Reka, Gopalakrishnan Bulusu, Akash Khandelwal, 2003, European journal of medicinal chemistry.

A Semimechanistic Pharmacokinetic-Enzyme Turnover Model for Rifampin Autoinduction in Adult Tuberculosis Patients

Akash Khandelwal, P. Olliaro, R. Rustomjee, 2012, Antimicrobial Agents and Chemotherapy.

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

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

Structural Variation Governs Substrate Specificity for Organic Anion Transporter (OAT) Homologs

P. Swaan, Akash Khandelwal, S. Nigam, 2007, Journal of Biological Chemistry.

Changing Body Weight–Based Dosing to a Flat Dose for Avelumab in Metastatic Merkel Cell and Advanced Urothelial Carcinoma

Akash Khandelwal, P. Girard, J. Wade, 2019, Clinical pharmacology and therapeutics.

Population pharmacokinetic model selection assisted by machine learning

J. Hesthaven, Akash Khandelwal, P. Girard, 2021, Journal of Pharmacokinetics and Pharmacodynamics.

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.

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

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

A multistate modeling and simulation framework to learn dose-response of oncology drugs: Application to bintrafusp alfa in non-small cell lung cancer.

Han Liu, K. Venkatakrishnan, Y. Vugmeyster, 2023, CPT: pharmacometrics & systems pharmacology.

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..

Time‐Varying Clearance and Impact of Disease State on the Pharmacokinetics of Avelumab in Merkel Cell Carcinoma and Urothelial Carcinoma

Y. Vugmeyster, Akash Khandelwal, P. Girard, 2019, CPT: pharmacometrics & systems pharmacology.

Safety, pharmacokinetics, and antimalarial activity of the novel plasmodium eukaryotic translation elongation factor 2 inhibitor M5717: a first-in-human, randomised, placebo-controlled, double-blind, single ascending dose study and volunteer infection study

J. McCarthy, D. Fidock, Akash Khandelwal, 2021, The Lancet. Infectious diseases.

Translation of liver stage activity of M5717, a Plasmodium elongation factor 2 inhibitor: from bench to bedside

Akash Khandelwal, P. Alves, Ö. Yalkinoglu, 2022, Malaria journal.

Electrostatic and potential cation-pi forces may guide the interaction of extracellular loop III with Na+ and bile acids for human apical Na+-dependent bile acid transporter.

P. Swaan, Akash Khandelwal, A. Banerjee, 2008, The Biochemical journal.

Causal chemoprophylactic activity of cabamiquine against Plasmodium falciparum in a controlled human malaria infection: a randomised, double-blind, placebo-controlled study in the Netherlands.

D. Fidock, Akash Khandelwal, Satish K. Dhingra, 2023, Lancet. Infectious Diseases (Print).

Pharmacometric modeling and machine learning analyses of prognostic and predictive factors in the JAVELIN Gastric 100 phase III trial of avelumab

K. Venkatakrishnan, Akash Khandelwal, A. von Heydebreck, 2021, CPT: pharmacometrics & systems pharmacology.

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..

Fast screening of covariates in population models empowered by machine learning

J. Hesthaven, Akash Khandelwal, P. Girard, 2021, Journal of Pharmacokinetics and Pharmacodynamics.

Immunogenicity of avelumab in patients with metastatic Merkel cell carcinoma or advanced urothelial carcinoma

Akash Khandelwal, J. Hibma, Karthik Venkatakrishnan, 2024, Clinical and translational science.