Search Result "born-oppenheimer molecular dynamics"
Rational Prediction with Molecular Dynamics for Hit Identification
Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 18 Year: 2012 Page: 2002-2012
Author(s): Sara E. Nichols,Robert V. Swift,Rommie E. Amaro
Multiscale Molecular Dynamics of Protein Aggregation
Journal: Current Protein & Peptide Science
Volume: 12 Issue: 3 Year: 2011 Page: 221-234
Author(s): Cesar L. Avila, Nils J. D. Drechsel, Raul Alcantara, Jordi Villa-Freixa
Molecular Dynamics as a Tool in Rational Drug Design: Current Status and Some Major Applications
Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 4 Year: 2009 Page: 225-240
Author(s): Roberta Galeazzi
Molecular Dynamics Simulations of HDAC-ligand Complexes Towardsthe Design of New Anticancer Compounds
Journal: Current Topics in Medicinal Chemistry
Volume: 23 Issue: 29 Year: 2023 Page: 2743-2764
Author(s): Yenamandra S. Prabhakar
The Fundamentals of Molecular Simulations
Ebook: A Journey Through Water: A Scientific Exploration of The Most Anomalous Liquid on Earth
Volume: 1 Year: 2017
Author(s): Jestin Baby Mandumpal
Doi: 10.2174/9781681084237117010006
Combined Quantum and Molecular Mechanics (QM/MM) Approaches to Simulate Ultrafast Photodynamics in Biological Systems
Journal: Current Organic Chemistry
Volume: 21 Issue: 7 Year: 2017 Page: 586-601
Author(s): Oliver Weingart
First Principles Computational Biochemistry with deMon2k
Ebook: Frontiers in Computational Chemistry
Volume: 2 Year: 2015
Author(s): A. Alvarez-Ibarra,P. Calaminici,A. Goursot,C. Z. Gómez-Castro,R. Grande-Aztatzi,T. Mineva,D. R. Salahub,J. M. Vásquez-Pérez,A. Vela,B. Zuniga-Gutierrez,A. M. Köster
Doi: 10.2174/9781608059782115020009
Molecular Modeling Studies of ABC Transporters Involved in Multidrug Resistance
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 9 Issue: 2 Year: 2009 Page: 186-193
Author(s): Aina Westrheim Ravna, Georg Sager
Exploring Mode of Phosphoramidon and Aβ Peptide Binding to hECE-1 by Molecular Dynamics and Docking Studies
Journal: Protein & Peptide Letters
Volume: 21 Issue: 2 Year: 2014 Page: 140-152
Author(s): Sagar Hindurao Barage, Kailas Dashrath Sonawane
Quantum Chemistry in Drug Design: Density Function Theory (DFT) and Other Quantum Mechanics (QM)-related Approaches
Ebook: Applied Computer-Aided Drug Design: Models and Methods
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815179934123010010