Search Result "molecular modeling calculations"
Recent Advances in Free Energy Calculations with a Combination of Molecular Mechanics and Continuum Models
Journal: Current Computer-Aided Drug Design
Volume: 2 Issue: 3 Year: 2006 Page: 287-306
Author(s): Junmei Wang, Tingjun Hou, Xiaojie Xu
MCDCalc: Markov Chain Molecular Descriptors Calculator for Medicinal Chemistry
Journal: Current Topics in Medicinal Chemistry
Volume: 20 Issue: 4 Year: 2020 Page: 305-317
Author(s): Paula Carracedo-Reboredo,Ramiro Corona,Mikel Martinez-Nunes,Carlos Fernandez-Lozano,Georgia Tsiliki,Haralambos Sarimveis,Eider Aranzamendi,Sonia Arrasate,Nuria Sotomayor,Esther Lete,Cristian Robert Munteanu,Humbert González-DÃaz
Molecular Modeling of Melanocortin Receptors
Journal: Current Topics in Medicinal Chemistry
Volume: 7 Issue: 1 Year: 2007 Page: 1042-1051
Author(s): Hongmao Sun, David Fry
A New Group Contribution Approach to the Calculation of LogP
Journal: Current Computer-Aided Drug Design
Volume: 1 Issue: 1 Year: 2005 Page: 3-9
Author(s): Hao Zhu, Aleksander Sedykh, Suman K. Chakravarti, Gilles Klopman
Molecular Modeling as a Tool for Drug Discovery
Journal: Current Drug Targets
Volume: 9 Issue: 1 Year: 2008 Page: 1084-1091
Author(s): Guy Barros Barcellos, Ivani Pauli, Rafael Andrade Caceres, Luis Fernando Saraiva Macedo Timmers, Raquel Dias, Walter Filgueira de Azevedo Jr
Developing the Molecular Modelling of Diffusion in Zeolites as a High Throughput Catalyst Screening Technique
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 6 Issue: 1 Year: 2003 Page: 1-9
Author(s): Ramesh Ch. Deka, Rajappan Vetrivel
Acetylcholinesterase: Molecular Modeling with the Whole Toolkit
Journal: Current Topics in Medicinal Chemistry
Volume: 6 Issue: 1 Year: 2006 Page: 57-73
Author(s): Gerald H. Lushington, Jian-Xin Guo, Margaret M. Hurley
Molecular Modelling Approaches to Antibacterial Drug Design and Discovery
Ebook: Frontiers in Anti-Infective Drug Discovery
Volume: 7 Year: 2018
Author(s): Agnieszka A. Kaczor,Prasanthi Medarametla,Damian Bartuzi,Magdalena Kondej,Dariusz Matosiuk,Antti Poso
Doi: 10.2174/9781681085623118070006
Molecular Recognition Models: A Challenge to Overcome
Journal: Current Drug Targets
Volume: 9 Issue: 1 Year: 2008 Page: 1077-1083
Author(s): Rafael Andrade Caceres, Ivani Pauli, Luis Fernando Saraiva Macedo Timmers, Walter Filgueira de Azevedo Jr.
Recent Trends in Carbohydrate Modeling
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 3 Issue: 7 Year: 2003 Page: 713-717
Author(s): Jane Dannow Dyekjaer, Kjeld Rasmussen