Efficiency of tabu-search-based conformational search algorithms

Biasing conformational ensembles towards bioactive-like conformers for ligand-based drug design

(2010) Boaz Musafia et al.   Expert Opinion on Drug Discovery

QM/MM Methods for Biomolecular Systems

(2009) Hans Martin Senn et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Conformational Sampling and Energetics of Drug-Like Molecules

(2009) Nicolas Foloppe et al.   CURRENT MEDICINAL CHEMISTRY

A Guide to Template Based Structure Prediction

(2009) Xiaotao Qu et al.   CURRENT PROTEIN & PEPTIDE SCIENCE

Protein structure prediction and model quality assessment

(2009) Andriy Kryshtafovych et al.   DRUG DISCOVERY TODAY

Tabu Search Based Strategies for Conformational Search†

(2009) Svetlana Stepanenko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Simulated annealing coupled replica exchange molecular dynamics—An efficient conformational sampling method

(2009) Srinivasaraghavan Kannan et al.   JOURNAL OF STRUCTURAL BIOLOGY

Progress and challenges in protein structure prediction

(2008) Yang Zhang   CURRENT OPINION IN STRUCTURAL BIOLOGY

Finding local optima of high-dimensional functions using direct search methods

(2008) Lars Magnus Hvattum et al.   EUROPEAN JOURNAL OF OPERATIONAL RESEARCH

Computational Study for Protein-Protein Docking Using Global Optimization and Empirical Potentials

(2008) Kyoungrim Lee   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

A tool for the prediction of structures of complex sugars

(2008) Junchao Xia et al.   JOURNAL OF BIOMOLECULAR NMR

Prediction of Protein Loop Conformations Using the AGBNP Implicit Solvent Model and Torsion Angle Sampling

(2008) Anthony K. Felts et al.   Journal of Chemical Theory and Computation

New Tabu Search based global optimization methods outline of algorithms and study of efficiency

(2007) Svetlana Stepanenko et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

An efficient conformational sampling method for homology modeling

(2007) Rongsheng Han et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS