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

Research Article open access plus

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

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

Self-Assembled Nanostructures of a Cholesterol-Saccharide Conjugate which Acts as an Amphiphilic Gelator of Organic Solvents

Journal: Current Nanoscience
Volume: 5 Issue: 2 Year: 2009 Page: 245-251
Author(s): Qian Jiang, Yinsong Wang, Jian Weng, Lingrong Liu, Zhimin Zhou, Qiqing Zhang, Hongli Chen, Wenzhi Yang

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

A Sampling-Based Method for Ranking Protein Structural Models by Integrating Multiple Scores and Features

Journal: Current Protein & Peptide Science
Volume: 12 Issue: 6 Year: 2011 Page: 540-548
Author(s): Xiaohu Shi, Jingfen Zhang, Zhiquan He, Yi Shang, Dong Xu

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