VIRGINIA POLYTECHNIC INSTITUTE & STATE UNIVERSITY

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ACCURATE AND EFFICIENT SOLVENT MODELS FOR MOLECULAR SIMULATIONS: METHODS AND BIOLOGICAL APPLICATIONS - PROGRESS IN MODERN BIO-MOLECULAR SCIENCES, FROM STRUCTURAL BIOLOGY TO STRUCTURE-BASED DRUG DESIGN, IS GREATLY ACCELERATED BY METHODS OF ATOMIC-LEVEL MODELING AND CLASSICAL SIMULATIONS THAT BRIDGE THE GAP BETWEEN THEORY AND EXPERIMENT; 45,000+ RESEARCH PAPERS THAT USE THESE METHODS ARE PUBLISHED EACH YEAR. ACCURATE AND COMPUTATIONALLY FACILE WATER MODELS ARE JUST AS IMPORTANT FOR OUTCOMES OF THE

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