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List of works by Pankaj Daga

3D-QSAR CoMFA, CoMSIA studies on substituted ureas as Raf-1 kinase inhibitors and its confirmation with structure-based studies

scientific article published in December 2004

3D-QSAR studies on c-Src kinase inhibitors and docking analyses of a potent dual kinase inhibitor of c-Src and c-Abl kinases

scientific article published in August 2005

A bifunctional nociceptin and mu opioid receptor agonist is analgesic without opioid side effects in nonhuman primates

scientific article published on 01 August 2018

Biochemical and structural consequences of a glycine deletion in the alpha-8 helix of protoporphyrinogen oxidase

scientific article published on 23 April 2010

CATMoS: Collaborative Acute Toxicity Modeling Suite

scientific article published in April 2021

Combined rule extraction and feature elimination in supervised classification.

scientific article published in September 2012

Glycogen synthase kinase-3 inhibition by 3-anilino-4-phenylmaleimides: insights from 3D-QSAR and docking

scientific article published on 7 October 2008

Homology modeling and molecular dynamics simulations of the active state of the nociceptin receptor reveal new insights intoagonist binding and activation ⬇️

scientific article published on May 17, 2012

Implementation of multiple-instance learning in drug activity prediction.

scientific article

Improvement of quantitative structure-activity relationship (QSAR) tools for predicting Ames mutagenicity: outcomes of the Ames/QSAR International Challenge Project

scientific article published on 01 March 2019

Latrunculin with a highly oxidized thiazolidinone ring: structure assignment and actin docking.

scientific article published on 12 October 2007

Leveraging domain information to restructure biological prediction.

scientific article

Log-Euclidean free-form deformation

scientific article published on 3 March 2011

Parametric non-rigid registration using a stationary velocity field

scientific article published in January 2012

Physiologically Based Pharmacokinetic Modeling in Lead Optimization. 1. Evaluation and Adaptation of GastroPlus To Predict Bioavailability of Medchem Series

scientific article published on 16 January 2018

Physiologically Based Pharmacokinetic Modeling in Lead Optimization. 2. Rational Bioavailability Design by Global Sensitivity Analysis To Identify Properties Affecting Bioavailability

scientific article published on 16 January 2018

Probing ligand recognition of the opioid pan antagonist AT-076 at nociceptin, kappa, mu, and delta opioid receptors through structure-activity relationships

scientific article published on 16 October 2017

Semisynthetic latrunculin B analogs: studies of actin docking support a proposed mechanism for latrunculin bioactivity.

scientific article published on 16 September 2009

Stereoelectronic properties of spiroquinazolinones in differential PDE7 inhibitory activity.

scientific article published in September 2008

Structure-based virtual screening of the nociceptin receptor: hybrid docking and shape-based approaches for improved hit identification

scientific article

Synthesis and SAR/3D-QSAR studies on the COX-2 inhibitory activity of 1,5-diarylpyrazoles to validate the modified pharmacophore

scientific article published on 14 June 2005

Synthesis and biological evaluation of 2,3-diarylpyrazines and quinoxalines as selective COX-2 inhibitors

scientific article published in April 2004

Template-based protein modeling: recent methodological advances.

scientific article

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