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High Throughput in-silico Screening against Flexible Protein Receptors.

, and . ICCSA (3), volume 3045 of Lecture Notes in Computer Science, page 465-472. Springer, (2004)

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High Throughput in-silico Screening against Flexible Protein Receptors., and . ICCSA (3), volume 3045 of Lecture Notes in Computer Science, page 465-472. Springer, (2004)Modeling loop backbone flexibility in receptor-ligand docking simulations., , and . Journal of Computational Chemistry, 33 (31): 2504-2515 (2012)SLIM: An improved generalized Born implicit membrane model., , , and . Journal of Computational Chemistry, 35 (28): 2027-2039 (2014)The parallel implementation of configuration-selecting multireference configuration interaction method., , and . Journal of Computational Chemistry, 20 (14): 1559-1570 (1999)Performance assessment of different constraining potentials in computational structure prediction for disulfide-bridged proteins., , and . Computational Biology and Chemistry, 35 (4): 230-239 (2011)Multiscale Simulation of Organic Electronics Via Smart Scheduling of Quantum Mechanics Computations., , , and . ICCS, volume 80 of Procedia Computer Science, page 1244-1254. Elsevier, (2016)Increasing Diversity in In-silico Screening with Target Flexibility., , and . CompLife, volume 3695 of Lecture Notes in Computer Science, page 186-197. Springer, (2005)A Pipeline Pilot based SOAP implementation of FlexScreen for High-Throughput Virtual Screening., , , , and . IWSG-Life, volume 819 of CEUR Workshop Proceedings, CEUR-WS.org, (2011)Derivatives of molecular surface area and volume: Simple and exact analytical formulas., , , and . Journal of Computational Chemistry, 32 (12): 2647-2653 (2011)SIMONA 1.0: An efficient and versatile framework for stochastic simulations of molecular and nanoscale systems., , , , , , , , , and 1 other author(s). Journal of Computational Chemistry, 33 (32): 2602-2613 (2012)