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<br><div><div>On 7 Jan 2008, at 18:33, Jack Shultz wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0; "><div><span class="Apple-style-span" style="color: rgb(0, 0, 221); -webkit-text-stroke-width: -1; ">I've gotten too far to give up easily.</span></div></span></blockquote><div>Well that's good.. being motivated is more than half of the job!</div><div><br></div><blockquote type="cite"><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0; "><div> <span class="Apple-style-span" style="color: rgb(0, 0, 221); -webkit-text-stroke-width: -1; ">At this stage of the game I'm just trying to formulate a plan and vet this plan out among the proverbial experts in molecular modeling. </span></div></span></blockquote></div>As I said I'm not an expert of docking. For sure the ideas behind (if not already explored by other people (that's why I told you to do a <div>deep search in literature and around!!)) sounds at least logical.. whether they will also work in the real world it's a totally different story. </div><div>As you said, I suggest you to try with a small class of problems already well known/studied and see if you can reproduce the same results. </div><div>Even though it should not work at the very first stage, this will offer you insights for possible solutions to the problems you may encounter with</div><div>this approach.</div><div><br class="webkit-block-placeholder"></div><div>cheers,</div><div>Teo</div></body></html>