AR Patel, HB Patel, SK Mody, RD Singh… - Journal of Veterinary …, 2021 - indianjournals.com
… to develop products with commercial value … Virtualscreening (VS) strategies have innovated the discovery of novel bioactive molecules by in silico method from large compound libraries…
… in the VirtualScreening of Bioactive Compounds Virtualscreeningmethods have innovated … , assessing in silico large structural libraries against a bioreceptor or biological system, thus …
… naturalproductslibraries link virtualscreening campaigns to the benefits of naturalproduct-… of the present study was to develop a virtualscreening pipeline for identifying potent natural …
ZY Yang, JH He, AP Lu, TJ Hou… - Journal of Medicinal …, 2020 - ACS Publications
… Negative design is a group of virtualscreeningmethods that aims at … These methods are mainly designed to predict three … high screening efficiency, most negative design methods are …
M Naderi, C Alvin, Y Ding, S Mukhopadhyay… - Journal of …, 2016 - Springer
… eSynth opens up a possibility to rapidly construct virtualscreeninglibraries for targeted drug … libraries for virtualscreening, we developed eSynth, a new fragment-based approach to …
WP Walters, R Wang - Journal of chemical information and …, 2020 - ACS Publications
… One remedy for improving the performance of virtualscreeningmethods is to … virtualscreening. One limiting factor in the application of free energy calculations to large chemical libraries …
L Luo, A Zhong, Q Wang, T Zheng - Marine Drugs, 2021 - mdpi.com
… naturalproducts were virtually screened by targeting PD-L1. In order to predict a variety of marine naturalproducts … naturalproducts to perform virtualscreening of PD-L1 detection sites. …
MVD de Oliveira, GMB Fernandes, KS da Costa… - RSC …, 2022 - pubs.rsc.org
… natural origin. In this work, we present a hierarchical ligand- and structure-based virtual screeningapproach … library AHL. This study explores the molecular chemo-structural diversity of …
… -based virtualscreeningtechnique by using the Schrödinger suite. A total of 150 molecules have been shortlisted from our in-house library of synthetic and naturalproducts based on …