Search Result "implicit solvent methods"
Modelling the Effect of Solvents on Carbohydrates
Journal: Mini-Reviews in Organic Chemistry
Volume: 8 Issue: 3 Year: 2011 Page: 249-255
Author(s): Vojtech Spiwok, Alfred D. French
Targeting HIV-1 Envelope Proteins Using a Fragment Discovery All-Atom Computational Algorithm
Journal: Current Enzyme Inhibition
Volume: 13 Issue: 1 Year: 2017 Page: 20-26
Author(s): Michael H. Peters
Computer Simulations of Biomolecules in Non-Aqueous and Semi-Aqueous Solvent Conditions
Ebook: Advances in Protein and Peptide Sciences
Volume: 1 Year: 2013
Author(s): Danilo Roccatano
Doi: 10.2174/9781608054879113010012
Recent Applications of Replica-Exchange Molecular Dynamics Simulations of Biomolecules
Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 401-412
Author(s): Yuji Sugita,Naoyuki Miyashita,Pai-Chi Li,Takao Yoda,Yuko Okamoto
Solvent Viscosity and Friction in Protein Folding Dynamics
Journal: Current Protein & Peptide Science
Volume: 11 Issue: 5 Year: 2010 Page: 385-395
Author(s): Stephen J. Hagen
In Silico Screening of Bioactive and Biomimetic Solutes Using Molecular Integral Equation Theory
Journal: Current Pharmaceutical Design
Volume: 17 Issue: 1 Year: 2011 Page: 1695-1708
Author(s): David S. Palmer, Gennady N. Chuev, Ekaterina L. Ratkova, Maxim V. Fedorov
Optimization Methods for Virtual Screening on Novel Computational Architectures
Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 1 Year: 2011 Page: 44-52
Author(s): Horacio Perez-Sanchez, Wolfgang Wenzel
Quantum Chemical Methods for Calculation of Non-Covalent Interactions in Biological Molecules
Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 314-323
Author(s): Sarah Aldulaijan,James A. Platts
Reliability of Virtual Screening Methods in Prediction of PDE4Binhibitor Activity
Journal: Current Drug Discovery Technologies
Volume: 12 Issue: 2 Year: 2015 Page: 117-126
Author(s): Victoria Shubina,Sanna Niinivehmas,Olli T. Pentikainen
Polar Diels-Alder Reactions Developed in a Protic Ionic Liquid: 3-Nitroindole as Dienophile. Theoretical Studies Using DFT Methods
Journal: Letters in Organic Chemistry
Volume: 9 Issue: 1 Year: 2012 Page: 691-695
Author(s): Claudia D. D. Rosa, Carla M. Ormachea, Ana S. Sonzogni, Maria N. Kneeteman, Luis R. Domingo, Pedro M. E. Mancini