Search Result "quantum-mechanics polarised ligand docking"


New Insights in Atom-Atom Interactions for Future Drug Design

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 17 Year: 2012 Page: 1924-1934
Author(s): Paul Popelier

Pharmacophore Modelling: A Forty Year Old Approach and its Modern Synergies

Journal: Current Medicinal Chemistry
Volume: 18 Issue: 1 Year: 2011 Page: 2543-2553
Author(s): F. Caporuscio, A. Tafi

Considering the Medium when Studying Biologically Active Molecules: Motivation, Options and Challenges

Ebook: Frontiers in Computational Chemistry
Volume: 1 Year: 2015
Author(s): Liliana Mammino,Mwadham M. Kabanda
Doi: 10.2174/9781608058648115010008

An Integrated Approach to Fragment-Based Lead Generation:Philosophy, Strategy and Case Studies from AstraZenecas Drug Discovery Programmes

Journal: Current Topics in Medicinal Chemistry
Volume: 7 Issue: 1 Year: 2007 Page: 1600-1629
Author(s): Jeffrey S. Albert, Niklas Blomberg, Alexander L. Breeze, Alastair J. H. Brown, Jeremy N. Burrows, Philip D. Edwards, Rutger H. A. Folmer, Stefan Geschwindner, Ed J. Griffen, Peter W. Kenny, Thorsten Nowak, Lise-Lotte Olsson, Hitesh Sanganee, Adam B. Shapiro

Review Article

Molecular Dynamics Simulations, Challenges and Opportunities: A Biologist’s Prospective

Journal: Current Protein & Peptide Science
Volume: 18 Issue: 11 Year: 2017 Page: 1163-1179
Author(s): Indu Kumari,Padmani Sandhu,Mushtaq Ahmed,Yusuf Akhter

Computation as a Tool for Glycogen Phosphorylase Inhibitor Design

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 10 Issue: 1 Year: 2010 Page: 1156-1174
Author(s): Joseph M. Hayes, Demetres D. Leonidas

New Insights on Flavonoid-Serum Albumin Interactions from Concerted Spectroscopic Methods and Molecular Modeling

Journal: Current Drug Metabolism
Volume: 14 Issue: 4 Year: 2013 Page: 474-490
Author(s): Sorana Ionescu, Iulia Matei, Cristina Tablet, Mihaela Hillebrand

Review Article

Direct Targeting of the Ras GTPase Superfamily Through Structure- Based Design

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 1 Year: 2017 Page: 16-29
Author(s): Wenye Zhao,Mostafa Jamshidiha,Thomas Lanyon-Hogg,Chiara Recchi,Ernesto Cota,Edward W. Tate

Spectroscopic and Theoretical Approaches for the Determination of Heparin Saccharide Structure and the Study of Protein-Glycosaminoglycan Complexes in Solution

Journal: Current Medicinal Chemistry
Volume: 16 Issue: 3 Year: 2009 Page: 4750-4766
Author(s): T. R. Rudd, E. A. Yates, M. Hricovini

Session Lectures

Ebook: Drug Discovery and Therapy World Congress – 2015 and Global Biotechnology Congress - 2015
Volume: 1 Year: 2016
Author(s):
Doi: 10.2174/9781681082752116010008

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