Search Result "Quantum chemical drug discovery."
Chemical Informatics and the Drug Discovery Knowledge Pyramid
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 16 Issue: 1 Year: 2013 Page: 764-776
Author(s): Gerald H. Lushington, Yinghua Dong, Bhargav Theertham
Hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) Simulation:A Tool for Structure-Based Drug Design and Discovery
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 22 Issue: 8 Year: 2022 Page: 1096-1107
Author(s): Vivek K. Vyas,Prajakta U. Kulkarni
Quantum Chemical Approaches: Semiempirical Molecular Orbital and Hybrid Quantum Mechanical/Molecular Mechanical Techniques
Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3293-3302
Author(s): Richard A. Bryce,Ian H. Hillier
Mathematical and Computational Techniques for Drug Discovery: Promises and Developments
Journal: Current Topics in Medicinal Chemistry
Volume: 18 Issue: 32 Year: 2018 Page: 2774-2799
Author(s): Krishnan Balasubramanian
Formation of a Toxic Quinoneimine Metabolite from Diclofenac: A Quantum Chemical Study
Journal: Drug Metabolism Letters
Volume: 13 Issue: 1 Year: 2019 Page: 64-76
Author(s): Muthusamy Ramesh,Prasad V. Bharatam
Grid-based Continual Analysis of Molecular Interior for Drug Discovery, QSAR and QSPR
Journal: Current Drug Discovery Technologies
Volume: 14 Issue: 3 Year: 2017 Page: 181-205
Author(s): Andrey V. Potemkin,Maria A. Grishina,Vladimir A. Potemkin
GAMESS As a Free Quantum-Mechanical Platform for Drug Research
Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 18 Year: 2012 Page: 2013-2033
Author(s): Yuri Alexeev,Michael P. Mazanetz,Osamu Ichihara,Dmitri G. Fedorov
Quantum Dots in the Therapy: Current Trends and Perspectives
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 17 Issue: 8 Year: 2017 Page: 650-656
Author(s): Miroslav Pohanka
The Drug Discovery Portal: A Computational Platform for Identifying Drug Leads from Academia
Journal: Current Pharmaceutical Design
Volume: 16 Issue: 1 Year: 2010 Page: 1697-1702
Author(s): Rachel L. Clark, Blair F. Johnston, Simon P. Mackay, Catherine J. Breslin, Murray N. Robertson, Oliver B. Sutcliffe, Mark J. Dufton, Alan L. Harvey
Quantum-Mechanics Methodologies in Drug Discovery: Applications of Docking and Scoring in Lead Optimization
Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 23 Year: 2017 Page: 2663-2680
Author(s): Alejandro Crespo,Agustina Rodriguez-Granillo,Victoria T. Lim